data_1x5y_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 1x5y _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 ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 132.27 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.28 161.35 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.95 158.27 42.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.83 167.61 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 64.67 34.4 9.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 11.4 tp -92.66 110.41 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -139.59 171.16 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.41 HG22 ' CG2' ' A' ' 101' ' ' VAL . 51.9 t -91.42 112.09 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -77.52 -55.14 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.25 165.96 25.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 t -145.51 129.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -157.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.88 -50.3 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -124.65 19.95 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 p -146.91 149.95 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -139.32 155.58 47.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -114.92 145.56 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.5 mt -136.63 141.47 43.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 122.51 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.478 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -128.48 179.45 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -123.43 154.63 66.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.94 39.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.06 15.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -107.4 -33.24 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.96 6.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 27.6 m-85 -149.28 142.96 25.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.16 115.81 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.82 125.06 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -135.57 136.92 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.4 p90 -119.21 146.35 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.1 t -123.23 116.62 23.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 108.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.77 137.31 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.3 127.51 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.81 10.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 t -80.9 156.85 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -120.55 13.54 11.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -117.45 117.35 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 77.5 m95 -81.47 113.58 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 99.1 t -84.52 141.7 39.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.77 78.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 9.0 p-10 -120.85 113.45 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -50.74 6.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -105.72 151.31 39.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.55 7.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 68' ' ' PHE . 24.2 m -61.51 173.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.2 pt-20 -106.36 -36.27 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -79.53 165.97 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -90.82 52.43 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.16 146.94 7.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 89.4 t80 -152.89 172.05 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.2 m -130.66 118.33 20.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.0 t -90.33 132.23 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -117.56 172.83 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.84 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt -146.42 145.83 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.07 119.23 5.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.4 m -61.98 116.63 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.47 44.93 4.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.57 130.38 42.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 86.69 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 52.4 mt -99.71 137.46 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -101.21 127.83 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 23.7 m-85 -103.28 142.27 34.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -141.81 140.31 32.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 2.5 t -119.3 130.71 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.1 m -128.13 127.98 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.62 119.65 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.8 m -90.64 159.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' GLY . 9.1 p30 -175.97 170.88 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -51.95 -28.24 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.9 -30.11 63.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 134.74 -113.39 1.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.117 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -131.06 164.61 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 p -117.43 175.95 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 137.12 53.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.96 125.45 9.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.7 52.86 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 m -38.72 147.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 11.7 mt -75.82 142.54 42.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.61 -29.19 70.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -141.09 148.71 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 103' ' ' ILE . 45.0 t -116.01 134.71 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.08 -25.04 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.47 ' CD1' HG11 ' A' ' 101' ' ' VAL . 29.5 mm 67.25 101.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -178.82 148.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 135.13 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.88 163.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.1 Cg_endo -75.04 161.44 38.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.85 169.07 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 63.89 35.51 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 tp -89.66 114.4 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -142.47 174.84 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.64 107.93 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 32.1 mm-40 -70.87 -48.78 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -146.64 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.4 t -139.43 142.48 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -159.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.9 -49.47 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -123.4 14.48 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -141.84 167.57 21.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -156.56 152.24 27.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.7 m -107.98 150.58 26.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -137.89 156.16 48.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -151.35 118.51 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.416 ' NE1' ' HA ' ' A' ' 66' ' ' CYS . 7.8 p90 -125.74 -177.11 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 154.76 81.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.9 42.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -27.57 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.39 -149.57 10.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 21.0 m-85 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.42 120.51 40.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -97.97 131.7 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -141.97 141.39 32.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.4 p90 -122.49 145.64 48.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 43.2 t -123.29 116.2 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.11 134.63 53.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.92 121.51 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.44 -27.12 20.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 22.2 t -81.14 150.56 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -114.95 15.09 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.91 116.3 21.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 59.4 m95 -79.09 118.43 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 82.8 t -87.01 141.63 33.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 111.93 3.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.58 85.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 25.1 p-10 -120.83 118.96 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -51.2 -48.19 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 152.39 42.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.41 19.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 68' ' ' PHE . 31.4 m -74.37 -175.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.17 -42.31 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.06 165.47 24.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 29.4 p -89.27 52.56 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.5 149.48 10.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 80.1 t80 -157.69 171.41 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -134.6 124.78 25.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -92.22 153.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.18 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 55.49 80.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mt -142.48 145.28 34.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.0 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.6 m -62.22 121.84 14.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.01 45.81 6.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.31 131.11 41.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.43 97.83 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 70.2 mt -112.97 137.84 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.0 mt -103.9 126.41 51.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 31.4 m-85 -102.58 130.86 49.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -130.64 135.18 47.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG11 ' CG ' ' A' ' 12' ' ' PRO . 2.3 t -111.85 137.17 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.34 134.32 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.16 114.62 3.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.3 m -85.85 160.61 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 6.1 p-10 177.44 173.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -49.37 -42.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.8 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 130.34 -111.83 1.19 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.27 165.26 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.6 p -117.94 166.02 13.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.26 135.59 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.68 11.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.61 55.75 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 m -42.71 143.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 16.3 mt -70.71 141.55 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.73 -35.02 75.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -135.41 151.3 74.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 103' ' ' ILE . 42.1 t -121.35 134.28 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -21.14 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.46 ' CD1' HG11 ' A' ' 101' ' ' VAL . 28.1 mm 64.79 100.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -178.88 145.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.7 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.42 157.28 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.533 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.6 Cg_endo -74.93 156.6 43.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.34 168.68 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 65.87 31.18 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.4 tp -85.32 109.25 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.05 169.45 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG12 ' CG2' ' A' ' 20' ' ' VAL . 70.9 t -93.66 121.62 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 54.7 mm-40 -85.9 -49.55 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -145.47 155.83 43.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.419 ' CG2' HG12 ' A' ' 17' ' ' VAL . 87.7 t -133.47 126.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 -157.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.2 -43.04 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -127.68 13.06 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -145.52 154.56 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -142.13 149.76 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.9 m -106.67 141.86 37.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.99 156.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -151.0 125.02 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 7.9 p90 -130.95 -179.0 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.24 155.08 68.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.46 42.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -112.1 -32.57 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.14 -154.57 21.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 22.0 m-85 -141.51 142.06 33.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -104.42 124.87 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.3 t -102.4 132.42 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 3.8 mt-10 -140.71 136.9 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.0 p90 -119.85 145.59 46.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.3 t -123.35 119.73 30.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.86 137.07 55.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.08 127.34 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.68 -29.06 12.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -80.99 148.5 29.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 14.74 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 123.27 42.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.7 m95 -85.05 121.56 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 75.6 t -91.46 141.4 25.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.08 79.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 8.2 p-10 -120.84 119.95 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.63 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -124.02 157.13 64.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.9 m -91.9 157.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -91.76 -32.14 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 68' ' ' PHE . 8.7 ptt180 -69.44 166.98 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.6 p -91.81 50.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.8 -177.07 47.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 67.6 t80 -173.35 170.72 4.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.1 m -129.7 120.41 25.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.15 170.3 16.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 t0 57.8 81.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -142.69 146.87 40.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.2 5.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 m -62.87 117.54 6.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.33 4.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.07 130.57 37.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -76.57 98.35 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 59.8 mt -112.93 138.47 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 mt -101.46 128.44 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.465 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 29.8 m-85 -101.82 144.95 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -141.92 148.11 38.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 12' ' ' PRO . 2.6 t -128.94 137.37 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.92 131.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.39 117.2 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.81 158.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 4.8 p-10 174.45 177.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -50.61 -42.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.65 -23.83 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 117.2 -121.43 5.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -120.72 159.12 26.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.8 p -114.96 -175.33 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.68 133.38 91.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.45 5.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.91 61.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -46.87 143.87 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.5 mt -70.08 151.12 45.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.05 -35.36 69.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -133.7 150.01 73.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 103' ' ' ILE . 37.7 t -119.78 133.52 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -25.26 42.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 101' ' ' VAL . 30.5 mm 68.43 100.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -176.12 146.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.96 137.88 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.21 166.03 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.97 154.91 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 165.1 29.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.44 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 66.0 m-70 65.64 36.91 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 95' ' ' ALA . 12.1 tp -92.34 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -139.39 169.82 17.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -94.46 113.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -76.95 -46.86 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.69 163.07 37.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.8 t -138.59 136.29 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -108.1 -157.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.5 -49.67 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -121.95 9.47 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.411 ' CG2' ' HA ' ' A' ' 71' ' ' LYS . 1.5 p -140.39 165.5 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -151.92 162.25 41.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -115.42 146.61 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -136.99 150.19 47.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 117.45 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 9.7 p90 -121.15 -176.59 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 12.4 mtm180 -125.79 154.23 73.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 158.18 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.41 12.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -110.3 -22.54 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -139.85 5.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 23.9 m-85 -149.49 141.53 23.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -102.06 127.44 48.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.87 129.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -141.92 137.51 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 26.0 p90 -119.52 144.49 47.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.1 t -123.38 118.9 28.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.35 134.47 53.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 6.8 tp10 -49.33 115.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.88 -26.68 12.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -80.94 150.9 28.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -113.81 14.66 18.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.92 116.22 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.497 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 54.4 m95 -78.59 124.1 27.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 65.1 t -91.47 141.53 26.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.66 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 17.1 p-10 -120.95 118.34 29.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.84 -32.99 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 8.4 pt-20 -125.24 156.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.38 16.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 68' ' ' PHE . 27.5 m -76.23 172.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 6.1 pt-20 -106.28 -36.19 6.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 6.6 mtm180 -70.84 169.62 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -91.53 49.1 1.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.53 175.14 44.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 76.1 t80 -167.83 167.7 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.405 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.1 m -126.11 119.3 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 t -85.83 153.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HA ' ' CG2' ' A' ' 24' ' ' THR . 0.5 OUTLIER -136.5 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 t70 55.41 79.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mt -142.54 143.76 27.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.38 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.3 m -64.01 118.06 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.85 44.79 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -128.96 136.78 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 46.0 mtt180 -78.01 98.15 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 47.7 mt -116.96 142.12 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.11 127.49 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 27.1 m-85 -102.1 127.76 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.54 137.1 50.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.567 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.2 t -113.72 138.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.5 m -134.04 125.54 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.512 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.78 114.58 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.4 m -84.65 160.59 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 3.3 p30 -179.2 -179.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -42.19 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.72 68.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.18 -104.25 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -134.6 166.69 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.5 p -122.3 175.64 6.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.1 mt-10 -50.65 133.41 27.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.06 116.62 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -77.95 56.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.2 m -48.29 158.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 17.8 mt -79.42 144.57 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mt -68.68 -17.87 64.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -148.82 149.57 30.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.47 8.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 103' ' ' ILE . 43.0 t -123.46 133.61 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -20.63 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' CD1' HG11 ' A' ' 101' ' ' VAL . 19.0 mm 63.2 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.44 147.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 136.33 34.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.01 158.76 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.03 161.02 39.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.82 173.44 12.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 63.94 26.2 14.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 tp -83.13 109.88 17.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -139.88 167.15 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 20' ' ' VAL . 36.3 t -92.49 102.64 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 9.1 mm-40 -65.21 -57.56 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 49.8 t0 -135.44 167.97 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 17' ' ' VAL . 25.0 t -145.9 122.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 -157.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -35.44 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -136.01 21.52 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.469 HG21 ' CB ' ' A' ' 71' ' ' LYS . 1.2 p -154.95 138.65 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.0 m -128.96 146.09 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 27' ' ' LEU . 51.5 m -105.32 149.66 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' N ' HG22 ' A' ' 26' ' ' THR . 12.5 mt -139.82 148.69 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.7 tttp -144.57 119.72 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.513 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -125.51 179.46 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.032 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -126.25 155.03 74.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.94 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -104.94 -26.19 12.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.11 -139.7 4.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 35.2 m-85 -148.06 151.32 35.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mt -112.45 112.95 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 t -93.51 139.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 82' ' ' ARG . 13.0 mt-10 -151.57 143.21 23.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 22.8 p90 -122.53 145.2 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.1 t -123.21 114.32 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.65 137.24 58.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -49.46 127.21 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.07 -29.5 11.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 28.4 t -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.62 -2.41 11.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 129.07 45.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -97.07 113.27 24.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 107.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -82.38 141.62 45.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.06 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.4 p-10 -121.09 126.28 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.03 81.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.89 157.17 42.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.93 10.24 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m -64.07 178.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.57 -37.69 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -86.11 163.84 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.421 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 36.4 m -85.53 59.72 5.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.45 153.84 12.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 78.9 t80 -154.7 167.47 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -126.56 103.24 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.81 129.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.469 ' CB ' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -122.62 178.49 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.52 68.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mt -132.8 148.31 68.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 118.66 5.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -60.12 117.8 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.9 54.25 3.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -140.9 130.96 24.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -75.38 98.81 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 54.1 mt -117.28 140.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD22 ' CA ' ' A' ' 100' ' ' PRO . 35.1 mt -104.62 132.99 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 28.6 m-85 -104.82 141.93 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -137.9 144.01 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 2.6 t -124.05 136.42 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.46 134.38 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.07 116.53 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.28 159.89 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 176.66 -178.0 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.4 tt -54.63 -42.32 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.7 75.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.67 -109.31 0.69 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 161.42 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 p -119.7 160.76 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -42.13 135.2 2.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.29 51.43 2.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -41.05 142.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.3 mt -64.67 152.61 41.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.25 -23.41 54.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -140.93 149.72 57.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.415 ' CA ' HD22 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.93 175.5 11.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.474 HG13 ' CD1' ' A' ' 103' ' ' ILE . 39.6 t -123.25 133.61 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -22.43 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.347 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.474 ' CD1' HG13 ' A' ' 101' ' ' VAL . 29.6 mm 67.21 100.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.7 145.45 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.41 133.64 34.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.08 162.12 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.96 156.28 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.23 166.4 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 66.08 28.06 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 15.5 tp -85.2 112.28 20.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -145.38 167.08 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 20' ' ' VAL . 47.8 t -91.03 109.91 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.54 -45.28 54.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.35 166.42 25.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' CG2' HG11 ' A' ' 17' ' ' VAL . 50.0 t -143.58 127.38 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.55 -158.09 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 -36.38 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -135.76 17.58 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -150.32 145.66 26.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 m -131.57 162.67 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -121.71 139.72 53.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -132.07 141.26 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.03 120.03 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.9 p90 -125.1 -177.24 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.86 155.77 66.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.13 -19.98 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.59 -148.72 14.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 16.7 m-85 -137.24 139.98 41.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.2 mt -98.06 130.52 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.1 t -109.48 142.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -158.06 153.33 25.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.6 p90 -129.7 144.68 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.9 t -123.32 111.25 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.34 139.98 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.94 125.74 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.01 -27.77 18.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 t -80.99 155.28 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -114.66 -6.17 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.1 pt-20 -98.34 124.16 42.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.6 m95 -90.89 115.35 27.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 62.9 t -86.71 141.39 33.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 131.51 14.4 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.81 -45.2 12.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.0 p-10 -121.12 109.53 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASN . 7.4 mtpm? -40.13 -47.33 2.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 26.6 mt-10 -112.27 156.98 41.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 130.99 13.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.55 -175.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.12 -41.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.17 176.08 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.5 p -98.51 58.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.75 147.57 7.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 83.7 t80 -157.82 172.18 18.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 1.8 m -130.75 129.88 43.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.6 t -101.17 118.37 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.51 177.38 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 59.33 77.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 mt -141.95 144.26 31.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.92 123.98 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.4 m -62.33 121.98 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.95 54.36 4.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.01 131.64 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.94 97.86 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 58.5 mt -117.18 142.34 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.3 mt -108.52 135.08 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 25.5 m-85 -112.26 129.45 56.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 51.6 ptt85 -133.68 136.58 44.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.67 140.48 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.7 134.06 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.8 111.61 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.2 m -82.56 160.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 8.1 p-10 173.93 175.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -52.06 -39.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.54 -21.13 66.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 119.5 -106.88 1.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -136.75 163.79 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -118.13 165.14 14.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.43 134.24 3.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.57 12.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.32 52.07 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -41.82 138.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 13.7 mt -63.52 148.25 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.4 -26.27 66.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -144.08 153.82 57.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.93 7.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.809 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 103' ' ' ILE . 42.1 t -124.24 134.11 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.11 -20.99 40.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' CD1' HG11 ' A' ' 101' ' ' VAL . 20.3 mm 65.87 100.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.9 146.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.428 ' H ' ' ND2' ' A' ' 87' ' ' ASN . 8.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.34 147.21 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 161.96 25.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.0 155.27 42.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.87 162.06 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CD2' HH21 ' A' ' 30' ' ' ARG . 68.6 m-70 65.62 41.18 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 13.1 tp -94.07 113.72 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -137.23 174.55 10.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG12 ' CG2' ' A' ' 20' ' ' VAL . 40.0 t -99.64 106.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 81.5 mm-40 -68.22 -51.51 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -142.28 166.49 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' CG2' HG12 ' A' ' 17' ' ' VAL . 24.4 t -141.41 126.61 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -101.81 -162.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.28 -55.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -115.63 12.88 16.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 21' ' ' THR . 2.7 p -146.5 158.28 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -144.52 157.53 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -112.09 145.47 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -134.18 155.22 50.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 12.9 tttt -151.3 120.1 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 7.4 p90 -124.76 -176.42 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.433 HH21 ' CD2' ' A' ' 14' ' ' HIS . 10.5 mtm180 -124.59 155.05 69.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.01 42.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.96 13.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.49 -28.76 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.55 -147.72 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 24.1 m-85 -146.54 142.83 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -103.39 119.29 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 t -96.66 135.69 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -148.48 142.65 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.467 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 30.1 p90 -123.95 147.19 47.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.9 t -123.25 116.69 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -64.43 138.6 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.67 126.89 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.6 23.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -84.23 149.34 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -110.7 12.26 22.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.56 121.35 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.8 m95 -82.79 116.73 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.017 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 59.6 t -84.29 141.42 39.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 122.28 7.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.68 -44.23 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 p-10 -121.05 132.5 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.26 -48.47 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.51 157.64 37.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.04 16.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.6 m -81.55 157.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -91.41 -35.36 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.87 168.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.9 p -94.64 54.26 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.92 -179.31 42.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 84.6 t80 -172.34 168.84 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -126.91 121.45 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.7 t -87.67 154.25 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.02 169.38 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.24 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.0 mt -140.12 143.14 32.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.1 m -62.62 117.79 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.36 38.97 5.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.39 134.78 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -80.48 99.49 8.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 48.8 mt -114.69 138.81 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 mt -102.55 131.36 49.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -104.44 142.12 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -140.15 139.21 35.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.3 t -118.8 129.14 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.9 129.19 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.27 119.19 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.82 160.56 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 9' ' ' THR . 4.4 p30 -173.12 177.83 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -49.58 -29.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.88 -37.06 41.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 132.42 -160.21 23.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.14 160.56 26.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.1 p -120.75 -177.46 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.31 133.24 24.76 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 125.77 9.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.31 52.07 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 m -40.48 149.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.46 -32.74 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -135.97 149.84 69.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.447 HG13 ' CD1' ' A' ' 103' ' ' ILE . 43.0 t -120.34 133.07 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.36 -20.57 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.447 ' CD1' HG13 ' A' ' 101' ' ' VAL . 21.4 mm 65.03 98.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 147.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -75.82 139.71 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.16 159.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.98 166.74 28.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.05 168.07 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.445 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 27.9 m-70 65.4 31.12 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.7 tp -88.44 109.09 19.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.43 168.61 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.6 t -91.93 115.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -82.65 -44.52 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -148.53 161.82 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.24 144.28 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -158.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 -33.78 15.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 p -136.5 16.07 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -145.59 165.78 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -153.96 150.31 28.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.6 m -106.75 150.98 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -140.27 149.07 42.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.62 118.04 8.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 6.2 p90 -125.56 173.8 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.035 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 2.0 mmp_? -116.82 156.16 48.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.37 42.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.568 1.825 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.0 15.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.08 -32.71 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.15 -145.25 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 29.3 m-85 -144.2 139.93 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.22 116.28 32.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -97.11 146.04 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -161.55 140.92 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.463 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 36.5 p90 -118.13 144.32 45.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 9.3 t -123.33 127.15 48.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.22 137.81 45.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.36 126.3 11.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.04 11.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -81.15 142.11 33.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -105.94 14.31 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 115.09 24.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 42.9 m95 -83.44 115.55 22.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 78.3 t -81.99 141.56 47.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.93 122.62 7.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.33 -44.02 22.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 15.0 p-10 -121.13 112.15 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -50.74 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.34 158.18 33.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.21 15.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 m -73.84 -178.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -112.54 -45.5 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -77.29 164.92 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 6.3 m -89.83 62.61 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.94 147.41 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 59' ' ' ASN . 72.3 t80 -156.39 170.69 21.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.491 ' N ' ' CD2' ' A' ' 68' ' ' PHE . 2.0 m -132.07 125.2 30.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.09 154.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.69 170.5 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.2 t0 62.01 79.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.2 mt -142.28 145.36 34.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.2 Cg_endo -74.96 119.42 5.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 m -60.14 122.41 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.54 48.42 6.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.65 129.54 35.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 96.12 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.464 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 72.7 mt -110.86 138.42 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -104.53 132.39 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.468 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 58.6 m-85 -109.9 129.7 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.485 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.0 ptt85 -130.8 135.59 47.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.74 141.36 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.52 131.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.16 108.92 2.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 m -83.37 153.36 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' GLY . 2.2 p30 -170.19 172.46 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -48.99 -33.59 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.63 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 137.91 -106.55 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.32 169.14 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -124.7 -176.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.62 133.51 88.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.51 7.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.45 58.01 2.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -45.6 143.0 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.7 mt -66.52 148.3 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.47 -20.14 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -150.01 151.6 32.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 103' ' ' ILE . 42.3 t -121.16 134.99 62.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -19.49 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.467 ' CD1' HG13 ' A' ' 101' ' ' VAL . 19.3 mm 63.78 100.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.7 148.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.5 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.83 143.07 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.24 162.09 3.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.67 36.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.82 167.98 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.54 35.88 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.5 tp -88.03 111.36 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -141.88 171.46 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG12 ' CG2' ' A' ' 20' ' ' VAL . 60.7 t -95.04 115.98 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -82.54 -46.57 13.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.55 157.23 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 17' ' ' VAL . 68.5 t -137.1 146.9 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.427 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -118.29 -160.47 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.26 -41.92 17.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -129.2 3.89 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.428 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.427 ' OG1' ' CB ' ' A' ' 21' ' ' THR . 1.9 p -129.35 172.11 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -161.9 159.38 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -118.25 146.04 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -134.94 152.0 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -144.46 123.24 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 4.7 p90 -129.99 -178.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.58 41.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.52 9.82 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -105.65 -26.88 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.03 -142.01 7.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 88.2 m-85 -148.03 145.86 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 86' ' ' VAL . 13.4 mt -107.61 115.21 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.46 133.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -144.32 144.66 31.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 33.4 p90 -123.91 144.7 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 40.4 t -123.36 123.05 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 108.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.68 138.64 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.48 133.38 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.77 -31.92 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 44.2 t -80.85 150.78 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.8 11.55 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 117.03 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.9 m95 -84.92 113.35 21.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 87.2 t -84.43 141.8 39.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.35 -44.18 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 5.1 p-10 -120.13 114.01 21.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -48.31 -38.96 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.53 156.28 46.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.84 10.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 68' ' ' PHE . 15.7 m -72.67 167.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.5 -34.48 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.91 170.68 10.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.8 p -93.74 58.8 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.5 176.87 35.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 71.8 t80 -164.3 174.07 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.3 m -132.46 115.27 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -83.56 154.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.26 172.24 13.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.06 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.8 mt -146.09 148.27 34.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.02 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.7 m -63.55 121.46 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.42 47.17 6.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.33 130.01 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -75.7 96.12 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 80.4 mt -108.48 133.28 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 mt -97.37 129.31 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 23.5 m-85 -104.39 146.87 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -144.41 142.66 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.511 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.6 t -122.85 128.44 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.6 m -124.89 134.15 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.32 119.86 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 44' ' ' LEU . 4.6 m -90.86 160.53 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 90' ' ' GLY . 5.4 p30 178.62 172.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.31 -27.32 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.92 -25.89 61.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 126.86 -109.47 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.52 164.72 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 p -120.16 170.06 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -48.09 136.1 11.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.6 10.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.54 54.01 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -41.38 144.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 15.6 mt -71.91 145.97 48.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.21 -16.68 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.77 150.07 32.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.64 4.32 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 103' ' ' ILE . 43.9 t -126.32 133.04 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.91 -25.07 43.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.443 ' CD1' HG13 ' A' ' 101' ' ' VAL . 33.7 mm 67.41 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.35 151.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.232 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.7 142.86 48.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.12 152.25 8.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.473 ' CG ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 142.79 28.26 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.72 167.73 19.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 39.5 m-70 72.81 21.96 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.612 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.5 tp -83.35 108.75 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -136.76 173.33 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -94.97 108.93 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -75.46 -51.78 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -144.3 158.52 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.99 124.98 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 -162.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -56.08 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -116.67 14.46 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 p -145.28 155.91 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 m -142.62 159.12 42.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -114.42 150.47 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 mt -142.29 141.51 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -139.9 119.01 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.486 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 7.5 p90 -123.83 174.77 7.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HG3' ' CG ' ' A' ' 14' ' ' HIS . 3.1 mmt180 -118.67 157.35 50.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.33 43.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.75 12.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -104.36 -28.23 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.9 10.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 20.0 m-85 -149.53 144.04 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.61 122.77 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 t -104.57 123.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -133.87 133.21 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 42.4 p90 -114.37 146.76 40.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.5 t -123.24 119.32 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.67 138.55 56.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -49.47 129.72 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.83 -30.01 9.05 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 34.3 t -81.1 154.34 26.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -117.29 11.44 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.33 117.2 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.542 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -81.76 119.25 23.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 57.6 t -88.49 141.48 30.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 115.28 4.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.56 75.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 13.2 p-10 -120.81 119.33 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -39.32 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 5.7 pt-20 -114.85 151.28 45.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.68 8.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.6 m -63.01 175.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.17 -39.69 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.55 172.31 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 3.9 m -94.81 57.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.6 151.12 9.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 84.5 t80 -157.56 169.89 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.0 m -128.56 123.22 32.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.6 t -90.84 153.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.48 174.82 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.87 82.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mt -143.81 144.65 27.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.04 119.88 5.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.8 m -60.9 123.45 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.57 41.09 9.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.28 130.69 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.67 97.56 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 79.1 mt -107.07 135.06 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.1 mt -97.81 125.62 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.472 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 31.7 m-85 -102.06 138.5 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.542 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -137.5 146.78 44.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 12' ' ' PRO . 2.4 t -126.09 135.17 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.34 127.31 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.32 113.39 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.94 160.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 4.8 p-10 171.9 179.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.5 -41.05 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.31 -16.85 49.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.28 -109.47 2.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 163.18 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 p -119.42 172.21 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.29 135.96 31.0 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 126.15 9.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.51 58.42 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -42.65 141.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 8.2 mt -68.27 146.22 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.59 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.46 158.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 174.82 12.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 103' ' ' ILE . 45.7 t -119.95 132.47 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -18.89 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.446 ' CD1' HG11 ' A' ' 101' ' ' VAL . 24.4 mm 62.36 100.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -177.25 147.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.537 ' H ' ' ND2' ' A' ' 87' ' ' ASN . 5.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.74 137.35 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.16 156.55 1.81 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.95 152.13 40.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 1.7 pt20 -142.42 157.4 44.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 23.3 m-70 76.33 32.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 16.1 tp -88.78 111.4 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -137.9 170.37 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' CG1' ' CG2' ' A' ' 20' ' ' VAL . 52.0 t -94.24 110.52 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -74.61 -44.74 49.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.85 159.42 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 103' ' ' ILE . 55.7 t -137.02 131.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.23 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.24 -44.15 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -126.49 13.03 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -144.19 162.17 37.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.76 157.45 42.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 m -112.61 151.4 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 mt -142.41 139.56 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -135.59 116.81 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 6.9 p90 -122.78 175.3 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 107.992 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 2.3 mtp180 -118.47 159.02 45.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.5 42.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.14 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.037 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.58 -31.83 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.16 -156.99 27.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 19.0 m-85 -135.31 140.08 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -100.75 123.82 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.4 t -100.35 130.97 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -143.07 140.79 31.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.6 p90 -122.53 147.44 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.3 t -123.37 115.99 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.47 138.28 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.98 136.65 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.49 4.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 32.7 t -81.1 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.31 -1.27 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -95.26 133.08 39.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.508 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 77.5 m95 -100.07 113.2 25.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 62.0 t -85.61 141.39 36.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.64 -45.0 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.6 p-10 -120.51 123.46 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -53.35 -43.78 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.95 153.89 45.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' CB ' HG22 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.04 123.8 8.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.7 m -63.42 175.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -108.45 -37.7 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -85.23 165.3 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.525 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 15.8 m -90.42 69.14 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.21 148.66 6.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 74.7 t80 -160.52 164.07 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 m -125.83 120.38 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -86.15 154.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.78 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 54.35 81.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.2 mt -143.97 146.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.05 120.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.9 m -64.25 118.67 8.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.63 40.61 6.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.7 129.09 47.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 86.6 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 59.8 mt -100.94 134.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 mt -99.76 125.42 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.468 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 38.6 m-85 -102.18 135.69 43.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.13 137.03 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG23 ' CZ3' ' A' ' 29' ' ' TRP . 2.2 t -113.85 128.82 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 m -122.46 133.17 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -79.18 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 62' ' ' PRO . 3.6 m -93.66 158.3 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 9' ' ' THR . 6.6 p30 -178.05 175.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -56.5 -25.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.14 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.23 -109.03 1.08 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.22 168.72 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -125.76 173.34 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.13 135.63 15.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.69 15.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.79 50.92 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 m -38.68 143.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 16.2 mt -67.69 145.26 54.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.06 -25.64 67.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -143.3 152.66 58.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.02 25.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 103' ' ' ILE . 53.7 t -115.41 135.91 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.5 -24.76 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 38.2 mm 66.23 94.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER 175.1 136.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.435 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -67.81 138.76 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.1 157.34 2.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.0 159.39 41.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.24 168.42 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.448 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 40.6 m-70 65.5 31.91 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 22.3 tp -89.55 105.34 17.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -133.79 172.99 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.2 t -96.89 117.03 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.67 -45.83 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.09 160.0 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 103' ' ' ILE . 59.4 t -138.11 128.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -159.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.35 -53.88 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -119.76 15.18 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.4 155.11 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.27 158.33 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.5 m -115.26 146.37 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 mt -134.84 156.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -153.49 114.8 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.9 p90 -120.94 -169.31 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 11.4 mtm180 -135.65 156.83 77.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.08 43.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.66 -28.21 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.89 -152.38 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 12.3 m-85 -135.76 141.55 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.71 133.87 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.66 145.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -162.16 150.52 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 24.4 p90 -127.39 145.86 50.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 7.7 t -123.19 107.03 11.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.2 137.7 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.22 122.41 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.62 -26.61 22.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -81.24 151.72 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -113.93 5.94 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.6 117.12 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 68.6 m95 -79.34 117.26 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 95.0 t -85.16 141.73 37.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.01 126.88 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.35 -44.45 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 8.2 p-10 -121.18 110.86 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -46.1 -32.28 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.47 149.13 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.56 12.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 m -75.02 163.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.42 -33.75 10.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.33 -178.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 p -106.13 53.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.16 174.0 38.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 90.4 t80 -167.82 171.38 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.88 118.64 22.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.1 t -87.58 154.51 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 171.39 14.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.57 77.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 mt -143.4 144.77 29.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.0 120.3 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 m -62.71 120.16 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.47 40.03 7.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.98 131.27 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -77.17 98.47 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 71.4 mt -111.59 140.87 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.12 134.94 45.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.467 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 30.4 m-85 -115.17 134.22 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 45.9 ptt85 -134.76 138.96 44.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.424 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 2.4 t -113.49 139.64 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 m -138.22 129.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.68 127.56 9.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.5 m -97.11 155.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.7 p-10 175.44 174.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -48.5 -43.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.18 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 124.69 -121.39 4.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 158.39 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -113.77 169.38 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.27 133.25 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.08 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.31 57.08 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -38.08 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 13.2 mt -81.71 141.38 33.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.79 -37.51 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -143.46 158.44 57.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.74 17.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 103' ' ' ILE . 31.1 t -115.89 135.8 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -22.47 51.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 31.8 mm 66.06 95.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -179.89 138.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.99 134.14 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.29 163.42 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -74.99 163.44 35.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -153.82 165.66 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 62.2 m-70 65.52 29.86 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.631 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 24.9 tp -86.56 106.17 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -135.72 174.44 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.403 HG11 ' CG2' ' A' ' 20' ' ' VAL . 78.7 t -97.97 113.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -78.41 -47.64 17.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -143.26 169.4 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG2' HG11 ' A' ' 17' ' ' VAL . 15.7 t -149.86 123.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -157.94 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 -32.19 14.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -138.33 21.18 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 p -154.07 143.96 21.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.507 HG23 ' CE2' ' A' ' 81' ' ' PHE . 3.2 m -131.73 149.88 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' N ' HG21 ' A' ' 25' ' ' THR . 87.7 m -111.83 139.56 47.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.1 mt -131.28 151.14 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.9 119.97 9.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.501 ' CE2' ' HA ' ' A' ' 66' ' ' CYS . 11.8 p90 -126.39 173.88 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.054 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 1.7 mmp_? -115.84 155.46 47.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.21 42.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.6 -29.39 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.38 -157.18 28.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD1' ' CA ' ' A' ' 85' ' ' GLY . 6.7 m-85 -138.84 143.0 38.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.46 148.87 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 134.34 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -150.76 142.1 23.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.7 p90 -118.68 145.17 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 6.9 t -123.05 117.11 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.72 137.55 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.64 118.37 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.01 -25.2 23.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -80.97 155.15 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.58 11.96 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.14 123.66 41.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 89.4 m95 -87.12 120.19 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 96.7 t -84.65 141.88 39.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.457 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.8 p-10 -121.24 111.94 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -47.26 -32.79 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -126.14 156.95 71.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.14 32.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 m -93.82 154.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.9 pt-20 -85.73 -34.71 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 2.9 ptt180 -75.23 169.65 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.501 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 3.6 m -97.32 62.8 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 108.316 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.89 169.04 33.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 77.5 t80 -170.95 173.67 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.431 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -125.0 121.48 34.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 52.5 t -95.48 115.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -104.57 173.41 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.38 78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 mt -146.69 145.47 23.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.05 126.01 9.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.4 m -67.1 124.07 22.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.41 44.73 7.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' THR . . . -133.19 130.16 38.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 99.49 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 54.0 mt -117.93 142.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 ' CA ' ' A' ' 100' ' ' PRO . 32.3 mt -100.79 151.03 22.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.507 ' CE2' HG23 ' A' ' 25' ' ' THR . 24.7 m-85 -129.05 127.9 42.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -130.51 141.05 50.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.5 129.09 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.17 126.68 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 43' ' ' TYR . . . -76.52 123.59 6.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.5 m -96.89 160.56 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 90' ' ' GLY . 3.5 p-10 172.9 -177.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.06 -43.47 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -22.23 66.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 113.44 -141.46 16.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -96.17 164.72 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.436 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 4.7 p -122.76 170.88 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.65 134.97 19.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 121.99 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.439 ' CB ' ' HG2' ' A' ' 12' ' ' PRO . . . -81.22 53.62 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -38.55 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.6 mt -75.17 141.08 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.65 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -148.97 150.49 32.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.409 ' CA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.478 HG11 ' CD1' ' A' ' 103' ' ' ILE . 43.5 t -125.73 134.55 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -78.31 -21.94 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.478 ' CD1' HG11 ' A' ' 101' ' ' VAL . 20.9 mm 64.55 97.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 179.67 139.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.58 128.08 34.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.85 162.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.0 163.23 35.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.92 166.22 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 65.64 35.19 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 tp -88.33 108.19 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.44 169.62 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.8 t -92.34 121.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.14 -41.73 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -153.31 151.16 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -130.73 124.34 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -159.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.97 -61.0 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -116.4 19.52 14.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -147.21 152.19 37.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 26' ' ' THR . 1.2 m -140.96 164.34 30.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 25' ' ' THR . 30.7 m -119.67 152.13 37.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.7 mt -140.87 151.47 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.56 121.68 10.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.516 ' CZ3' HG23 ' A' ' 83' ' ' VAL . 6.1 p90 -127.58 -172.6 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 107.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.87 152.24 78.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.68 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -28.12 11.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 -132.85 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.8 m-85 -149.33 141.61 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -105.48 117.06 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 t -98.1 136.35 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -150.19 136.84 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -114.99 146.02 41.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.4 t -123.13 111.15 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.03 137.37 51.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 118.78 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.73 -24.66 21.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -83.0 154.56 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -114.1 12.91 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.66 126.28 45.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.58 ' CE3' ' CD ' ' A' ' 82' ' ' ARG . 80.0 m95 -87.26 119.99 28.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 88.1 t -84.83 142.02 38.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.09 118.61 5.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.15 -42.35 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.0 p-10 -121.0 114.29 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -31.92 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -125.62 157.03 69.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.71 20.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 m -81.98 173.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 7.1 pt-20 -107.48 -33.79 7.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 14.8 ptp180 -70.12 -178.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.7 p -104.47 56.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.02 -176.24 43.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 79.6 t80 -174.61 166.46 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -128.88 123.41 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 t -90.79 154.85 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.21 169.22 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.23 76.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.37 147.09 56.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 119.58 5.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -62.59 118.22 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.35 5.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.03 135.16 43.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 99.37 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.2 mt -117.68 145.45 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.07 145.51 32.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.462 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 34.4 m-85 -119.77 128.0 53.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.58 ' CD ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -124.76 144.81 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' CZ3' ' A' ' 29' ' ' TRP . 2.4 t -123.11 130.73 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.1 130.29 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 120.69 5.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.1 m -95.22 156.58 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 177.15 -175.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -49.35 -47.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.75 -47.11 59.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.49 -101.01 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.73 150.57 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 p -108.24 175.07 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.78 136.86 78.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.24 8.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.68 58.17 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -41.03 139.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 10.8 mt -62.98 157.93 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.99 -36.85 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 14.5 pt20 -141.82 158.79 61.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 99' ' ' GLN . 18.4 Cg_endo -74.97 173.13 15.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 103' ' ' ILE . 35.1 t -120.27 135.13 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -19.96 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.465 ' CD1' HG13 ' A' ' 101' ' ' VAL . 26.3 mm 65.76 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.82 147.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 p -63.92 133.26 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.73 165.12 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.98 165.4 31.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.68 170.72 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 64.7 m-70 62.63 30.13 16.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.62 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 8.7 tp -89.05 111.77 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -142.93 170.94 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -90.18 116.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -82.56 -48.84 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -145.82 161.27 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -142.93 142.04 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -157.88 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.97 -38.86 16.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -134.83 23.51 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 p -151.21 155.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.9 m -145.05 160.63 41.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.0 m -121.86 143.55 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -133.64 142.21 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -138.75 117.09 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 10.7 p90 -119.69 179.37 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 3.9 mmt180 -120.79 154.01 57.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.35 42.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.43 -32.56 6.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.14 -138.73 4.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -150.03 141.01 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -100.36 127.54 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 t -107.81 133.37 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -144.84 134.17 23.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.5 p90 -115.76 146.26 42.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.7 t -123.41 119.96 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mt -67.47 137.32 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 123.5 6.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.76 -28.69 14.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -80.83 152.85 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.44 11.67 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -117.73 104.33 10.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.4 m95 -67.1 121.7 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 61.3 t -89.05 141.41 29.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 114.97 4.15 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.09 -43.66 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 26.0 p-10 -121.16 111.15 17.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.32 -31.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 2.0 mm-40 -128.73 157.05 76.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.01 12.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.0 m -67.04 175.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.49 -40.06 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.78 178.17 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.409 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 25.1 p -99.77 44.17 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.07 8.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.489 ' CD1' HG11 ' A' ' 63' ' ' VAL . 63.7 t80 -148.55 173.3 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.67 124.18 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.6 t -98.73 121.68 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -112.93 178.36 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.88 76.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -139.5 145.54 44.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.01 119.51 5.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -59.46 115.89 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 50.84 3.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.43 131.05 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.54 87.19 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 33.9 mt -100.61 139.82 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' N ' HG23 ' A' ' 79' ' ' ILE . 22.3 mt -102.68 126.29 49.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.464 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 31.0 m-85 -101.95 141.15 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -140.08 147.45 40.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG12 ' CG ' ' A' ' 12' ' ' PRO . 2.3 t -126.23 136.14 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.85 127.95 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.14 110.65 3.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.8 m -82.99 160.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 7.5 p-10 179.39 173.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -47.04 -44.09 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.69 -39.43 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.47 -107.49 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.8 165.72 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.356 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 p -121.1 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 17.0 mp0 -50.81 132.85 28.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.55 59.52 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 144.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 9.3 mt -68.83 149.06 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -34.77 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.17 158.45 48.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 103' ' ' ILE . 23.6 t -113.2 139.3 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -23.24 37.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.459 ' CD1' HG13 ' A' ' 101' ' ' VAL . 30.1 mm 67.44 99.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.74 150.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 133.16 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.51 159.59 0.35 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.99 159.36 41.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.95 168.37 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 65.54 33.21 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.3 tp -91.15 115.4 27.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -145.55 172.36 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG12 ' CG2' ' A' ' 20' ' ' VAL . 65.5 t -94.76 113.68 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -149.96 154.47 38.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 ' CG2' HG12 ' A' ' 17' ' ' VAL . 80.5 t -132.31 135.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -157.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.78 -35.41 13.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -132.96 10.43 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 p -142.27 162.49 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -148.53 150.93 34.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -108.39 149.62 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.38 150.86 45.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.19 114.83 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE2' ' HA ' ' A' ' 66' ' ' CYS . 6.2 p90 -122.75 -179.68 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.88 154.84 80.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.57 41.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 175.4 11.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -103.8 -32.23 9.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.64 -143.25 7.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -141.59 143.48 33.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' HG12 ' A' ' 86' ' ' VAL . 7.9 mt -104.26 114.79 29.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.1 t -95.21 128.38 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 9.8 mt-10 -138.85 140.63 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.7 p90 -124.81 146.83 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.4 t -123.07 117.94 26.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.06 135.35 52.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.89 -29.96 10.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.098 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -80.78 150.59 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 14.23 16.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.71 116.47 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.494 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 65.4 m95 -78.15 117.93 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 66.2 t -87.87 141.45 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 117.0 4.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.61 -44.87 66.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 p-10 -121.11 114.81 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -48.37 -45.41 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.04 155.2 43.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.43 17.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 68' ' ' PHE . 17.6 m -76.7 179.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -109.76 -43.11 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.52 154.72 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.475 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 35.3 m -81.49 55.54 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.11 145.16 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' CD1' HG12 ' A' ' 63' ' ' VAL . 67.5 t80 -154.45 168.15 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -133.69 114.72 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.26 153.45 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.99 172.27 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.8 t0 58.14 83.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.0 mt -144.65 145.37 28.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.3 Cg_endo -74.99 119.46 5.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -61.96 120.01 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.43 6.31 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.94 127.76 42.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 0.819 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.79 84.58 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.468 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 73.1 mt -95.91 133.84 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.38 123.66 44.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.472 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 51.6 m-85 -102.06 135.71 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 47.0 ptt85 -136.05 134.95 38.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 12' ' ' PRO . 2.2 t -111.18 138.49 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.6 m -137.2 136.82 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.22 122.73 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.408 HG12 ' CD1' ' A' ' 44' ' ' LEU . 12.3 m -97.1 157.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 177.14 -173.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 tt -57.35 -42.82 81.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.25 77.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.95 -105.1 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 160.44 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.7 p -117.39 167.64 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -47.67 133.53 10.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.32 55.29 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -38.55 141.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 11.0 mt -65.0 143.99 57.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.92 -31.55 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -148.77 158.69 39.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.55 14.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' A' ' 103' ' ' ILE . 38.7 t -120.46 134.85 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -22.07 55.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.434 ' CD1' HG11 ' A' ' 101' ' ' VAL . 30.5 mm 66.55 94.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -177.47 140.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.39 143.11 57.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 162.52 6.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.47 ' CG ' HG13 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 158.32 42.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.808 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.64 166.36 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 65.02 36.49 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 18.1 tp -91.86 114.7 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.6 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 20' ' ' VAL . 53.3 t -95.2 112.19 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.06 -51.08 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.64 160.31 40.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' CG2' HG11 ' A' ' 17' ' ' VAL . 84.4 t -141.88 131.46 23.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -157.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -89.77 -36.11 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -131.79 8.94 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -141.69 161.3 38.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -148.53 146.64 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.3 m -101.86 146.94 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -134.67 155.02 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.34 120.32 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 5.5 p90 -128.41 178.69 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -122.66 153.76 63.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 159.63 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.27 11.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.579 1.831 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.99 -35.22 9.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.06 -161.97 35.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.6 m-85 -128.2 140.89 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -104.21 119.23 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -96.22 126.8 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' NH1' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -137.67 140.49 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.452 ' CZ ' ' HB ' ' A' ' 56' ' ' VAL . 51.0 p90 -121.03 148.82 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.7 t -123.15 115.52 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.34 138.08 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 130.75 27.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.25 5.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 3.5 t -80.89 156.27 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -118.06 15.53 14.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -113.05 117.17 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.227 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.0 m95 -85.35 112.38 20.77 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 58.5 t -86.0 141.35 35.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.03 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.58 91.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 30.6 p-10 -120.29 115.4 23.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -39.54 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.5 151.5 48.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.4 15.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -79.01 166.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.06 -39.38 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -68.68 166.83 16.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.411 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -92.45 65.43 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 108.294 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.17 169.1 28.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 75.9 t80 -167.29 171.73 10.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.38 115.54 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 t -82.82 154.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.92 173.71 11.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.93 81.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 mt -141.03 146.97 45.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.0 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.8 m -61.71 116.85 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.57 46.9 4.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.36 129.87 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.0 92.39 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 70.8 mt -105.41 140.46 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.82 129.07 53.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.88 148.14 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -145.4 140.88 27.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.518 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.3 t -118.56 128.29 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.93 126.83 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.72 111.22 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.07 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.9 p30 -173.16 174.22 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.88 -31.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.66 -23.91 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 123.01 -138.2 11.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 169.67 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.7 p -128.99 166.28 19.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.0 mm-40 -41.7 128.61 2.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -74.97 124.03 8.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.83 52.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -40.72 145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.75 150.69 46.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.06 -23.38 58.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -142.79 149.07 48.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 103' ' ' ILE . 37.9 t -120.11 133.97 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -22.63 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 101' ' ' VAL . 28.8 mm 67.23 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.68 146.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.293 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 130.5 42.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.05 159.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.1 42.32 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.1 161.18 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CD2' HH21 ' A' ' 30' ' ' ARG . 83.0 m-70 65.16 44.82 3.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.9 tp -97.6 108.19 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -134.81 172.46 12.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.436 HG12 ' CG2' ' A' ' 20' ' ' VAL . 59.2 t -93.91 111.67 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 28' ' ' LYS . 68.8 mm-40 -73.4 -50.3 22.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.47 161.84 38.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.436 ' CG2' HG12 ' A' ' 17' ' ' VAL . 54.8 t -137.0 128.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.53 -157.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -95.2 -42.52 8.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 p -123.29 11.1 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -145.24 169.91 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -154.48 146.51 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.1 m -104.33 144.45 31.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.13 142.46 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 18' ' ' GLU . 6.0 tttt -137.2 129.5 29.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 5.7 p90 -133.2 -177.23 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.451 HH21 ' CD2' ' A' ' 14' ' ' HIS . 12.6 mtm180 -127.89 154.13 78.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 157.95 42.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.44 9.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.5 -31.4 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.19 -144.7 9.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 49.5 m-85 -144.43 149.46 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.43 109.75 20.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 t -88.84 130.41 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -143.46 142.64 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 35.0 p90 -122.99 146.6 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 12.2 t -123.18 112.28 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.06 138.59 57.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.17 112.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.04 15.34 20.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -118.42 149.53 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.22 10.56 21.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.39 119.42 28.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.8 m95 -81.94 119.18 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 61.4 t -86.33 141.38 34.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 124.79 8.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.6 -43.95 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.9 p-10 -121.16 118.09 28.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -51.95 -48.23 64.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -108.48 157.77 35.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.01 129.18 12.08 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 68' ' ' PHE . 16.8 m -73.94 168.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.99 -34.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.24 174.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.45 43.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.59 170.51 39.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 83.6 t80 -159.28 172.66 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.8 m -131.34 118.24 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.64 151.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.76 170.05 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 0.2 OUTLIER 57.3 90.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 72' ' ' ASP . 17.7 mt -149.77 144.26 17.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 119.06 5.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.8 m -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.43 50.75 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -137.82 130.89 30.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -71.97 98.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 65.6 mt -113.11 129.72 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.403 HD21 ' CA ' ' A' ' 100' ' ' PRO . 30.3 mt -98.04 127.07 43.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 43.0 m-85 -103.77 129.75 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -128.13 135.6 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.572 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.5 t -112.95 133.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.1 127.86 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -75.58 124.52 7.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -99.06 156.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 176.36 177.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -46.54 -45.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.85 -44.6 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.78 -105.41 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -134.35 164.44 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.773 . . . . 0.0 110.304 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.8 p -122.93 173.27 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -53.02 135.24 48.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.97 6.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -77.14 58.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -44.17 138.09 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 13.0 mt -65.17 150.32 48.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.68 -39.42 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.44 158.53 68.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.403 ' CA ' HD21 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.99 173.25 14.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 103' ' ' ILE . 38.5 t -118.28 134.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -20.73 52.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.383 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.443 ' CD1' HG12 ' A' ' 101' ' ' VAL . 24.1 mm 65.84 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -179.97 145.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 138.64 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.13 159.4 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.01 159.58 41.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.53 164.68 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 68.88 34.29 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.6 tp -89.8 113.97 25.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -143.05 167.13 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.9 t -89.35 119.24 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 26.6 mm-40 -85.92 -46.7 10.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -146.69 153.91 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.9 t -134.36 125.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -157.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -46.56 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 p -125.76 11.06 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -141.99 155.33 45.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -143.95 160.45 40.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.5 m -117.08 145.73 43.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -134.1 149.87 51.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -142.5 116.4 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CZ3' HG23 ' A' ' 83' ' ' VAL . 5.8 p90 -122.39 177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -125.66 156.97 70.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.34 39.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.12 -24.8 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.47 -173.16 38.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 30.7 m-85 -125.44 144.1 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.744 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mt -106.0 119.86 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.79 135.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -150.92 149.47 29.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 48.1 p90 -129.64 150.07 51.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 t -123.17 116.88 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.57 136.67 57.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.09 116.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.67 -24.24 22.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.112 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -81.09 157.8 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -120.67 13.45 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -127.14 126.54 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.565 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 85.6 m95 -84.61 123.81 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 37.2 t -85.86 137.63 35.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' N ' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.03 111.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.41 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.4 p-10 -121.01 119.39 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -29.8 61.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.0 153.82 64.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.07 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 m -83.59 175.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 12.9 pt-20 -108.52 -43.65 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 3.0 mpp_? -62.32 -179.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.422 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -104.64 53.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.84 169.09 35.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 80.2 t80 -164.66 165.29 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.28 127.65 52.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.8 t -95.29 154.71 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.97 171.44 14.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 58.84 73.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.19 146.85 56.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.455 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.95 119.48 5.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.6 m -63.99 121.11 13.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 45.22 6.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.72 131.78 38.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.05 98.82 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.455 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 61.0 mt -114.4 142.15 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' N ' HG21 ' A' ' 79' ' ' ILE . 31.5 mt -100.53 141.96 32.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 27.8 m-85 -116.91 131.72 56.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.565 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -131.55 140.79 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.572 HG23 ' CZ3' ' A' ' 29' ' ' TRP . 2.2 t -119.77 126.29 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.05 126.61 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.542 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.58 115.47 4.27 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 m -84.89 158.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 90' ' ' GLY . 5.9 p30 -176.32 171.88 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.58 -30.4 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.68 -19.69 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 121.54 -138.74 12.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -108.49 161.66 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.27 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.4 p -113.99 179.0 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.98 136.19 83.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.33 57.1 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 m -43.68 148.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 13.5 mt -74.12 142.3 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.55 -24.21 67.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -144.04 148.09 40.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.68 12.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 103' ' ' ILE . 39.4 t -121.8 131.65 72.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.0 -18.29 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 101' ' ' VAL . 19.7 mm 64.04 100.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.72 147.06 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 139.23 58.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.48 159.31 0.89 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.6 41.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -137.82 166.44 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 59.38 42.95 17.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 38.6 tp -94.96 104.52 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.66 174.18 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 t -99.43 107.43 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 30.1 mm-40 -70.18 -56.51 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.46 173.97 11.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -152.63 132.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -162.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.46 -37.06 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -127.27 5.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.2 p -142.57 166.18 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -153.94 144.23 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.1 m -99.44 149.56 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -138.71 158.53 44.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.3 tttt -153.2 125.95 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 9.8 p90 -133.36 178.44 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -116.81 154.73 49.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.33 41.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 -33.19 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.6 -143.96 11.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.432 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 92.3 m-85 -140.41 151.8 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' HG11 ' A' ' 86' ' ' VAL . 15.6 mt -112.53 107.25 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 15.7 t -88.91 117.87 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -126.81 143.98 51.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.247 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.1 p90 -124.48 145.64 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.511 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 53.0 t -123.24 117.73 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.44 136.3 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.33 129.46 15.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.8 -30.67 8.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.7 t -80.99 152.33 28.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.14 14.09 16.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -117.31 120.05 37.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.511 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 66.9 m95 -84.51 116.57 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 61.5 t -86.99 141.64 33.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -64.42 -46.23 84.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.9 p-10 -120.96 122.51 40.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -53.96 -43.83 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -108.62 156.18 39.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.39 172.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.83 -33.81 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 169.54 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 66' ' ' CYS . 17.6 p -91.88 47.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.07 178.65 48.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 89.0 t80 -171.09 171.45 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.66 110.71 11.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.89 154.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.22 171.13 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 52.7 84.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 mt -144.09 144.25 25.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.05 119.77 5.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -61.75 118.14 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.38 42.53 5.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.85 129.17 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 90.6 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 63.7 mt -102.68 137.76 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.2 mt -103.65 125.67 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.467 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 41.9 m-85 -102.34 135.44 43.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' A' ' 94' ' ' PRO . 47.4 ptt85 -136.76 134.62 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 3.4 t -110.94 133.06 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.92 134.01 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.432 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.63 117.36 4.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 44' ' ' LEU . 3.6 m -96.93 158.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 177.16 -177.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.3 -40.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.47 81.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.46 -105.53 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -136.11 167.47 21.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -129.25 170.51 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.98 134.81 28.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.434 ' CB ' ' HD2' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.05 127.06 10.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.06 54.35 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -40.06 145.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 15.2 mt -70.95 147.17 48.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.42 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -143.29 150.38 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 103' ' ' ILE . 43.1 t -119.21 134.55 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -23.48 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 101' ' ' VAL . 26.0 mm 65.45 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -179.87 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.89 155.22 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.74 116.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 125.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 158.62 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -133.69 128.27 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.21 157.34 25.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.73 28.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.432 1.754 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p -49.29 175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 132.27 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.28 161.35 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.95 158.27 42.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.83 167.61 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 64.67 34.4 9.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 11.4 tp -92.66 110.41 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -139.59 171.16 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG22 ' CG2' ' A' ' 101' ' ' VAL . 51.9 t -91.42 112.09 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -77.52 -55.14 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.25 165.96 25.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 t -145.51 129.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -157.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.88 -50.3 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -124.65 19.95 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 p -146.91 149.95 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -139.32 155.58 47.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -114.92 145.56 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.5 mt -136.63 141.47 43.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 122.51 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.478 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -128.48 179.45 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -123.43 154.63 66.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.94 39.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.06 15.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -107.4 -33.24 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -96.43 80.98 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -104.61 -63.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.81 -150.23 42.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.91 151.68 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 -61.87 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 145.94 5.53 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.1 tt -73.92 141.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.16 -44.24 30.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.96 6.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 27.6 m-85 -149.28 142.96 25.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.16 115.81 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.82 125.06 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -135.57 136.92 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.4 p90 -119.21 146.35 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.1 t -123.23 116.62 23.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 108.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.77 137.31 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.3 127.51 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.81 10.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 t -80.9 156.85 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -120.55 13.54 11.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -117.45 117.35 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 77.5 m95 -81.47 113.58 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 99.1 t -84.52 141.7 39.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.77 78.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 9.0 p-10 -120.85 113.45 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -50.74 6.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -105.72 151.31 39.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.55 7.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 68' ' ' PHE . 24.2 m -61.51 173.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.2 pt-20 -106.36 -36.27 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -79.53 165.97 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -90.82 52.43 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.16 146.94 7.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 89.4 t80 -152.89 172.05 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.2 m -130.66 118.33 20.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.0 t -90.33 132.23 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -117.56 172.83 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.84 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt -146.42 145.83 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.07 119.23 5.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.4 m -61.98 116.63 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.47 44.93 4.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.57 130.38 42.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 86.69 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 52.4 mt -99.71 137.46 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -101.21 127.83 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 23.7 m-85 -103.28 142.27 34.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -141.81 140.31 32.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 2.5 t -119.3 130.71 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.1 m -128.13 127.98 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.62 119.65 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.8 m -90.64 159.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 90' ' ' GLY . 9.1 p30 -175.97 170.88 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -51.95 -28.24 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.9 -30.11 63.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 134.74 -113.39 1.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.117 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -131.06 164.61 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 p -117.43 175.95 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 137.12 53.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.96 125.45 9.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.7 52.86 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 m -38.72 147.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 11.7 mt -75.82 142.54 42.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.61 -29.19 70.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -141.09 148.71 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 103' ' ' ILE . 45.0 t -116.01 134.71 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.08 -25.04 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.47 ' CD1' HG11 ' A' ' 101' ' ' VAL . 29.5 mm 67.25 101.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -178.82 148.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.4 129.59 44.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 111.54 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.03 178.43 30.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.0 m -158.23 159.57 36.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.37 89.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 109.974 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.84 86.3 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.734 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.06 155.32 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.27 141.5 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -105.76 138.36 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -119.24 130.6 55.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.18 -143.38 7.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.38 26.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -45.72 166.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 135.13 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.88 163.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.1 Cg_endo -75.04 161.44 38.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.85 169.07 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 63.89 35.51 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 tp -89.66 114.4 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -142.47 174.84 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -100.64 107.93 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 32.1 mm-40 -70.87 -48.78 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -146.64 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.4 t -139.43 142.48 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -159.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.9 -49.47 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -123.4 14.48 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -141.84 167.57 21.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -156.56 152.24 27.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.7 m -107.98 150.58 26.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -137.89 156.16 48.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -151.35 118.51 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.416 ' NE1' ' HA ' ' A' ' 66' ' ' CYS . 7.8 p90 -125.74 -177.11 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 154.76 81.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.9 42.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -27.57 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.5 75.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 31.8 mm -67.47 -58.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.59 -77.22 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.66 164.3 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.17 -38.04 1.72 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.87 139.8 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.82 138.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -48.67 68.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.39 -149.57 10.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 21.0 m-85 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.42 120.51 40.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -97.97 131.7 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -141.97 141.39 32.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.4 p90 -122.49 145.64 48.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 43.2 t -123.29 116.2 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.11 134.63 53.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.92 121.51 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.44 -27.12 20.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 22.2 t -81.14 150.56 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -114.95 15.09 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.91 116.3 21.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 59.4 m95 -79.09 118.43 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 82.8 t -87.01 141.63 33.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 111.93 3.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.58 85.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 25.1 p-10 -120.83 118.96 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -51.2 -48.19 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 152.39 42.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.41 19.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 68' ' ' PHE . 31.4 m -74.37 -175.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.17 -42.31 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.06 165.47 24.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 29.4 p -89.27 52.56 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.5 149.48 10.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 80.1 t80 -157.69 171.41 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -134.6 124.78 25.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -92.22 153.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.18 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 55.49 80.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mt -142.48 145.28 34.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.0 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.6 m -62.22 121.84 14.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.01 45.81 6.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.31 131.11 41.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.43 97.83 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 70.2 mt -112.97 137.84 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.0 mt -103.9 126.41 51.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 31.4 m-85 -102.58 130.86 49.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -130.64 135.18 47.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG11 ' CG ' ' A' ' 12' ' ' PRO . 2.3 t -111.85 137.17 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.34 134.32 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.16 114.62 3.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.3 m -85.85 160.61 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 6.1 p-10 177.44 173.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -49.37 -42.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.8 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 130.34 -111.83 1.19 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.27 165.26 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.6 p -117.94 166.02 13.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.26 135.59 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.68 11.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.61 55.75 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 m -42.71 143.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 16.3 mt -70.71 141.55 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.73 -35.02 75.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -135.41 151.3 74.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 103' ' ' ILE . 42.1 t -121.35 134.28 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -21.14 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.46 ' CD1' HG11 ' A' ' 101' ' ' VAL . 28.1 mm 64.79 100.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -178.88 145.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.2 176.94 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 95.0 p -132.28 143.34 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.39 102.54 2.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 110' ' ' SER . 18.3 Cg_endo -75.03 98.75 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.557 1.819 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 t 65.3 -75.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 108' ' ' PRO . 3.1 m -91.91 86.54 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.06 97.69 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.77 153.99 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.955 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.17 129.09 2.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -163.38 124.86 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 0.716 . . . . 0.0 110.022 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -135.57 153.64 51.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.13 -144.31 4.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.127 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 148.29 35.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -49.43 176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.7 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.42 157.28 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.533 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.6 Cg_endo -74.93 156.6 43.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.34 168.68 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 65.87 31.18 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.4 tp -85.32 109.25 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.05 169.45 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG12 ' CG2' ' A' ' 20' ' ' VAL . 70.9 t -93.66 121.62 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 54.7 mm-40 -85.9 -49.55 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -145.47 155.83 43.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.419 ' CG2' HG12 ' A' ' 17' ' ' VAL . 87.7 t -133.47 126.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 -157.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.2 -43.04 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -127.68 13.06 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 p -145.52 154.56 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -142.13 149.76 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.9 m -106.67 141.86 37.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.99 156.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -151.0 125.02 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 7.9 p90 -130.95 -179.0 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.24 155.08 68.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.46 42.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -112.1 -32.57 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -98.31 82.58 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mt -106.76 -79.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.31 82.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 174.18 43.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.62 -43.35 3.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.81 137.11 3.78 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.8 tt -50.83 140.04 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.757 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.5 -44.48 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.14 -154.57 21.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 22.0 m-85 -141.51 142.06 33.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -104.42 124.87 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.3 t -102.4 132.42 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 3.8 mt-10 -140.71 136.9 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.0 p90 -119.85 145.59 46.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.3 t -123.35 119.73 30.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.86 137.07 55.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.08 127.34 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.68 -29.06 12.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -80.99 148.5 29.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 14.74 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 123.27 42.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.7 m95 -85.05 121.56 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 75.6 t -91.46 141.4 25.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.08 79.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 8.2 p-10 -120.84 119.95 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.63 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -124.02 157.13 64.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.9 m -91.9 157.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -91.76 -32.14 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 68' ' ' PHE . 8.7 ptt180 -69.44 166.98 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.6 p -91.81 50.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.8 -177.07 47.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 67.6 t80 -173.35 170.72 4.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.1 m -129.7 120.41 25.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.15 170.3 16.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 t0 57.8 81.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -142.69 146.87 40.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.2 5.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 m -62.87 117.54 6.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.33 4.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.07 130.57 37.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -76.57 98.35 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 59.8 mt -112.93 138.47 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 mt -101.46 128.44 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.465 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 29.8 m-85 -101.82 144.95 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -141.92 148.11 38.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 12' ' ' PRO . 2.6 t -128.94 137.37 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.92 131.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.39 117.2 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.81 158.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 4.8 p-10 174.45 177.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -50.61 -42.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.65 -23.83 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 117.2 -121.43 5.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -120.72 159.12 26.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.8 p -114.96 -175.33 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.68 133.38 91.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.45 5.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.91 61.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -46.87 143.87 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.5 mt -70.08 151.12 45.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.05 -35.36 69.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -133.7 150.01 73.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 103' ' ' ILE . 37.7 t -119.78 133.52 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -25.26 42.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 101' ' ' VAL . 30.5 mm 68.43 100.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -176.12 146.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.02 154.87 17.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 146.11 23.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.54 172.67 54.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.54 4.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.63 89.16 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 t -167.95 93.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -86.0 126.79 34.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -147.77 135.13 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 136.56 4.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -131.23 99.56 4.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -150.18 177.0 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.23 -128.67 1.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.02 16.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.43 1.753 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.9 p -40.73 161.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.96 137.88 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.21 166.03 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.97 154.91 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 165.1 29.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.44 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 66.0 m-70 65.64 36.91 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 95' ' ' ALA . 12.1 tp -92.34 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -139.39 169.82 17.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -94.46 113.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -76.95 -46.86 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.69 163.07 37.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.8 t -138.59 136.29 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -108.1 -157.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.5 -49.67 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -121.95 9.47 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.411 ' CG2' ' HA ' ' A' ' 71' ' ' LYS . 1.5 p -140.39 165.5 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -151.92 162.25 41.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -115.42 146.61 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -136.99 150.19 47.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 117.45 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 9.7 p90 -121.15 -176.59 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 12.4 mtm180 -125.79 154.23 73.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 158.18 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.41 12.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -110.3 -22.54 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.38 82.25 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.32 -62.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -158.07 48.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 153.94 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.68 -56.77 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 166.01 40.32 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.5 tt -95.38 143.97 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -44.61 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -139.85 5.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 23.9 m-85 -149.49 141.53 23.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -102.06 127.44 48.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.87 129.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -141.92 137.51 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 26.0 p90 -119.52 144.49 47.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.1 t -123.38 118.9 28.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.35 134.47 53.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 6.8 tp10 -49.33 115.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.88 -26.68 12.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -80.94 150.9 28.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -113.81 14.66 18.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.92 116.22 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.497 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 54.4 m95 -78.59 124.1 27.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 65.1 t -91.47 141.53 26.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.66 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 17.1 p-10 -120.95 118.34 29.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.84 -32.99 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 8.4 pt-20 -125.24 156.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.38 16.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 68' ' ' PHE . 27.5 m -76.23 172.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 6.1 pt-20 -106.28 -36.19 6.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 6.6 mtm180 -70.84 169.62 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -91.53 49.1 1.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.53 175.14 44.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 76.1 t80 -167.83 167.7 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.405 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.1 m -126.11 119.3 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 t -85.83 153.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HA ' ' CG2' ' A' ' 24' ' ' THR . 0.5 OUTLIER -136.5 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 t70 55.41 79.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mt -142.54 143.76 27.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.38 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.3 m -64.01 118.06 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.85 44.79 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -128.96 136.78 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 46.0 mtt180 -78.01 98.15 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 47.7 mt -116.96 142.12 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.11 127.49 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.431 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 27.1 m-85 -102.1 127.76 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.54 137.1 50.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.567 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.2 t -113.72 138.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.5 m -134.04 125.54 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.512 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.78 114.58 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.4 m -84.65 160.59 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 3.3 p30 -179.2 -179.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -42.19 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.72 68.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.18 -104.25 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -134.6 166.69 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.5 p -122.3 175.64 6.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.1 mt-10 -50.65 133.41 27.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.06 116.62 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -77.95 56.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.2 m -48.29 158.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 17.8 mt -79.42 144.57 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mt -68.68 -17.87 64.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -148.82 149.57 30.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.47 8.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 103' ' ' ILE . 43.0 t -123.46 133.61 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -20.63 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' CD1' HG11 ' A' ' 101' ' ' VAL . 19.0 mm 63.2 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.44 147.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.93 178.3 5.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.6 p -121.68 107.35 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.3 147.41 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -61.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -56.82 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.59 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.77 113.86 17.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 152.34 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.59 170.58 19.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.25 -60.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.57 114.14 22.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.15 165.93 12.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.73 28.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.5 p -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 136.33 34.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.01 158.76 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.03 161.02 39.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.82 173.44 12.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 63.94 26.2 14.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 tp -83.13 109.88 17.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -139.88 167.15 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 20' ' ' VAL . 36.3 t -92.49 102.64 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 9.1 mm-40 -65.21 -57.56 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 49.8 t0 -135.44 167.97 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 17' ' ' VAL . 25.0 t -145.9 122.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 -157.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -35.44 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -136.01 21.52 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.469 HG21 ' CB ' ' A' ' 71' ' ' LYS . 1.2 p -154.95 138.65 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.0 m -128.96 146.09 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 27' ' ' LEU . 51.5 m -105.32 149.66 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' N ' HG22 ' A' ' 26' ' ' THR . 12.5 mt -139.82 148.69 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.7 tttp -144.57 119.72 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.513 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -125.51 179.46 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.032 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -126.25 155.03 74.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.94 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -104.94 -26.19 12.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 82.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 16.2 mm -74.91 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.07 57.87 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . 51.81 -176.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.74 -69.93 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' ALA . . . 108.55 137.76 8.21 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.49 138.92 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 0.727 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -48.89 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.11 -139.7 4.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 35.2 m-85 -148.06 151.32 35.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mt -112.45 112.95 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 t -93.51 139.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 82' ' ' ARG . 13.0 mt-10 -151.57 143.21 23.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 22.8 p90 -122.53 145.2 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.1 t -123.21 114.32 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.65 137.24 58.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -49.46 127.21 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.07 -29.5 11.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 28.4 t -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.62 -2.41 11.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 129.07 45.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -97.07 113.27 24.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 107.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -82.38 141.62 45.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.06 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.4 p-10 -121.09 126.28 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.03 81.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.89 157.17 42.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.93 10.24 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m -64.07 178.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.57 -37.69 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -86.11 163.84 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.421 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 36.4 m -85.53 59.72 5.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.45 153.84 12.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 78.9 t80 -154.7 167.47 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -126.56 103.24 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.81 129.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' CB ' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -122.62 178.49 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.52 68.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mt -132.8 148.31 68.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 118.66 5.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -60.12 117.8 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.9 54.25 3.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -140.9 130.96 24.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -75.38 98.81 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 54.1 mt -117.28 140.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD22 ' CA ' ' A' ' 100' ' ' PRO . 35.1 mt -104.62 132.99 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 28.6 m-85 -104.82 141.93 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -137.9 144.01 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 2.6 t -124.05 136.42 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.46 134.38 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.07 116.53 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.28 159.89 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 176.66 -178.0 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.4 tt -54.63 -42.32 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.7 75.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.67 -109.31 0.69 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 161.42 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 p -119.7 160.76 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -42.13 135.2 2.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.29 51.43 2.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -41.05 142.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.3 mt -64.67 152.61 41.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.25 -23.41 54.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -140.93 149.72 57.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.415 ' CA ' HD22 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.93 175.5 11.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.474 HG13 ' CD1' ' A' ' 103' ' ' ILE . 39.6 t -123.25 133.61 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -22.43 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.347 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.474 ' CD1' HG13 ' A' ' 101' ' ' VAL . 29.6 mm 67.21 100.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.7 145.45 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.84 150.03 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -158.45 148.47 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -142.08 157.56 26.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.81 27.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.29 109.0 21.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 t -147.67 122.78 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -174.71 101.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -93.79 -58.09 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.83 162.58 37.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -68.88 143.59 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.747 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -147.43 101.73 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.42 160.9 27.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.43 33.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 p -66.61 -172.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.41 133.64 34.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.08 162.12 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.96 156.28 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.23 166.4 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 66.08 28.06 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 15.5 tp -85.2 112.28 20.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -145.38 167.08 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 20' ' ' VAL . 47.8 t -91.03 109.91 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.54 -45.28 54.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.35 166.42 25.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' CG2' HG11 ' A' ' 17' ' ' VAL . 50.0 t -143.58 127.38 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.55 -158.09 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 -36.38 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -135.76 17.58 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -150.32 145.66 26.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 m -131.57 162.67 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -121.71 139.72 53.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -132.07 141.26 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.03 120.03 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.9 p90 -125.1 -177.24 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.86 155.77 66.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.13 -19.98 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.57 72.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.3 mt -83.98 -72.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.34 -163.63 34.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 48.88 -162.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.62 3.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 161.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.2 tt -82.0 131.69 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -60.35 -43.02 96.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.59 -148.72 14.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 16.7 m-85 -137.24 139.98 41.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.2 mt -98.06 130.52 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.1 t -109.48 142.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -158.06 153.33 25.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.6 p90 -129.7 144.68 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.9 t -123.32 111.25 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.34 139.98 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.94 125.74 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.01 -27.77 18.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 t -80.99 155.28 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -114.66 -6.17 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.1 pt-20 -98.34 124.16 42.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.6 m95 -90.89 115.35 27.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 62.9 t -86.71 141.39 33.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 131.51 14.4 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.81 -45.2 12.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.0 p-10 -121.12 109.53 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASN . 7.4 mtpm? -40.13 -47.33 2.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 26.6 mt-10 -112.27 156.98 41.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 130.99 13.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.55 -175.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.12 -41.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.17 176.08 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.5 p -98.51 58.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.75 147.57 7.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 83.7 t80 -157.82 172.18 18.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 1.8 m -130.75 129.88 43.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.6 t -101.17 118.37 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.51 177.38 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 59.33 77.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 mt -141.95 144.26 31.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.92 123.98 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.4 m -62.33 121.98 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.95 54.36 4.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.01 131.64 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.94 97.86 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 58.5 mt -117.18 142.34 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.3 mt -108.52 135.08 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 25.5 m-85 -112.26 129.45 56.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 51.6 ptt85 -133.68 136.58 44.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.67 140.48 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.7 134.06 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.8 111.61 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.2 m -82.56 160.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 8.1 p-10 173.93 175.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -52.06 -39.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.54 -21.13 66.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 119.5 -106.88 1.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -136.75 163.79 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -118.13 165.14 14.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.43 134.24 3.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.57 12.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.32 52.07 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -41.82 138.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 13.7 mt -63.52 148.25 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.4 -26.27 66.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -144.08 153.82 57.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.93 7.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.809 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 103' ' ' ILE . 42.1 t -124.24 134.11 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.11 -20.99 40.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' CD1' HG11 ' A' ' 101' ' ' VAL . 20.3 mm 65.87 100.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.9 146.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.02 155.11 17.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 p -105.63 154.02 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.65 -179.45 15.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 99.43 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 m 62.97 107.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.62 156.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -129.51 84.0 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.46 137.48 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.66 100.49 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.25 -59.11 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.065 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -105.99 125.89 51.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 166.94 23.96 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.24 17.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.428 ' H ' ' ND2' ' A' ' 87' ' ' ASN . 8.0 p -42.77 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.34 147.21 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 161.96 25.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.0 155.27 42.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.87 162.06 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' CD2' HH21 ' A' ' 30' ' ' ARG . 68.6 m-70 65.62 41.18 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 13.1 tp -94.07 113.72 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -137.23 174.55 10.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG12 ' CG2' ' A' ' 20' ' ' VAL . 40.0 t -99.64 106.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 81.5 mm-40 -68.22 -51.51 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -142.28 166.49 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' CG2' HG12 ' A' ' 17' ' ' VAL . 24.4 t -141.41 126.61 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -101.81 -162.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.28 -55.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -115.63 12.88 16.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 21' ' ' THR . 2.7 p -146.5 158.28 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -144.52 157.53 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -112.09 145.47 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -134.18 155.22 50.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 12.9 tttt -151.3 120.1 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 7.4 p90 -124.76 -176.42 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.433 HH21 ' CD2' ' A' ' 14' ' ' HIS . 10.5 mtm180 -124.59 155.05 69.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.01 42.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.01 173.96 13.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.49 -28.76 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -100.84 60.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 23.3 mm -49.11 -66.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.34 -134.96 12.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.85 144.3 38.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.12 -59.5 4.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.61 163.94 12.47 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 tt -72.27 143.19 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -37.83 22.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.55 -147.72 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 24.1 m-85 -146.54 142.83 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -103.39 119.29 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 t -96.66 135.69 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -148.48 142.65 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 30.1 p90 -123.95 147.19 47.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.9 t -123.25 116.69 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -64.43 138.6 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.67 126.89 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.6 23.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -84.23 149.34 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -110.7 12.26 22.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.56 121.35 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.8 m95 -82.79 116.73 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.017 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 59.6 t -84.29 141.42 39.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 122.28 7.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.68 -44.23 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 p-10 -121.05 132.5 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.26 -48.47 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.51 157.64 37.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.04 16.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.6 m -81.55 157.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -91.41 -35.36 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.87 168.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.9 p -94.64 54.26 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.92 -179.31 42.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 84.6 t80 -172.34 168.84 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -126.91 121.45 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.7 t -87.67 154.25 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.02 169.38 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.24 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.0 mt -140.12 143.14 32.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.1 m -62.62 117.79 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.36 38.97 5.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.39 134.78 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -80.48 99.49 8.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 48.8 mt -114.69 138.81 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 mt -102.55 131.36 49.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -104.44 142.12 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -140.15 139.21 35.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.3 t -118.8 129.14 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.9 129.19 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.27 119.19 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.82 160.56 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 9' ' ' THR . 4.4 p30 -173.12 177.83 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -49.58 -29.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.88 -37.06 41.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 132.42 -160.21 23.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.14 160.56 26.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.1 p -120.75 -177.46 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.31 133.24 24.76 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 125.77 9.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.31 52.07 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 m -40.48 149.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.46 -32.74 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -135.97 149.84 69.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.447 HG13 ' CD1' ' A' ' 103' ' ' ILE . 43.0 t -120.34 133.07 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.36 -20.57 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.447 ' CD1' HG13 ' A' ' 101' ' ' VAL . 21.4 mm 65.03 98.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 147.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 159.93 14.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.46 131.96 54.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.82 90.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.99 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 m 50.64 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -71.96 -58.24 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 119.05 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 p -56.44 167.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.29 136.63 13.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.56 147.15 42.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -167.22 87.39 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.75 179.33 44.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.82 29.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -47.65 173.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -75.82 139.71 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.16 159.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.98 166.74 28.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.05 168.07 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.445 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 27.9 m-70 65.4 31.12 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.7 tp -88.44 109.09 19.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.43 168.61 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.6 t -91.93 115.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -82.65 -44.52 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -148.53 161.82 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.24 144.28 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -158.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 -33.78 15.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 p -136.5 16.07 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -145.59 165.78 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -153.96 150.31 28.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.6 m -106.75 150.98 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -140.27 149.07 42.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.62 118.04 8.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 6.2 p90 -125.56 173.8 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.035 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 2.0 mmp_? -116.82 156.16 48.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.37 42.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.568 1.825 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.0 15.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.08 -32.71 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 77.84 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.16 -63.21 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.3 -143.56 21.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.91 169.28 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.95 -66.61 3.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.67 152.33 29.24 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.69 133.57 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.94 -41.51 82.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.15 -145.25 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 29.3 m-85 -144.2 139.93 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.22 116.28 32.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -97.11 146.04 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -161.55 140.92 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.463 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 36.5 p90 -118.13 144.32 45.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 9.3 t -123.33 127.15 48.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.22 137.81 45.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.36 126.3 11.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.04 11.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -81.15 142.11 33.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -105.94 14.31 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 115.09 24.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 42.9 m95 -83.44 115.55 22.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 78.3 t -81.99 141.56 47.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.93 122.62 7.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.33 -44.02 22.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 15.0 p-10 -121.13 112.15 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -50.74 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.34 158.18 33.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.21 15.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 m -73.84 -178.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -112.54 -45.5 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -77.29 164.92 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 6.3 m -89.83 62.61 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.94 147.41 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 59' ' ' ASN . 72.3 t80 -156.39 170.69 21.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.491 ' N ' ' CD2' ' A' ' 68' ' ' PHE . 2.0 m -132.07 125.2 30.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.09 154.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.69 170.5 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.2 t0 62.01 79.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.2 mt -142.28 145.36 34.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.2 Cg_endo -74.96 119.42 5.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 m -60.14 122.41 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.54 48.42 6.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.65 129.54 35.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 96.12 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.464 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 72.7 mt -110.86 138.42 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -104.53 132.39 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.468 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 58.6 m-85 -109.9 129.7 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.485 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.0 ptt85 -130.8 135.59 47.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.74 141.36 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.52 131.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.16 108.92 2.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 m -83.37 153.36 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' GLY . 2.2 p30 -170.19 172.46 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -48.99 -33.59 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.63 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 137.91 -106.55 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.32 169.14 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -124.7 -176.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.62 133.51 88.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.51 7.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.45 58.01 2.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -45.6 143.0 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.7 mt -66.52 148.3 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.47 -20.14 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -150.01 151.6 32.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 103' ' ' ILE . 42.3 t -121.16 134.99 62.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -19.49 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.467 ' CD1' HG13 ' A' ' 101' ' ' VAL . 19.3 mm 63.78 100.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.7 148.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.68 165.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 p -155.26 120.54 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.82 -137.64 7.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.4 t -150.36 116.17 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.0 p -129.56 -57.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -164.72 107.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.18 160.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.06 -136.28 6.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.94 -62.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.95 144.89 26.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.35 -177.87 15.98 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' N ' ' CB ' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.96 137.78 22.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.5 p -51.75 167.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.83 143.07 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.24 162.09 3.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.67 36.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.82 167.98 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.54 35.88 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.5 tp -88.03 111.36 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -141.88 171.46 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG12 ' CG2' ' A' ' 20' ' ' VAL . 60.7 t -95.04 115.98 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -82.54 -46.57 13.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.55 157.23 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 17' ' ' VAL . 68.5 t -137.1 146.9 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.427 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -118.29 -160.47 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.26 -41.92 17.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -129.2 3.89 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.428 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.427 ' OG1' ' CB ' ' A' ' 21' ' ' THR . 1.9 p -129.35 172.11 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -161.9 159.38 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -118.25 146.04 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -134.94 152.0 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -144.46 123.24 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 4.7 p90 -129.99 -178.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.58 41.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.06 176.52 9.82 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -105.65 -26.88 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.36 71.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 40.2 mm -60.16 -59.91 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.92 -114.67 3.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.63 150.75 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.01 -59.98 4.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.55 178.9 15.54 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.5 tt -96.14 143.1 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -76.07 -43.34 44.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.03 -142.01 7.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 88.2 m-85 -148.03 145.86 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 86' ' ' VAL . 13.4 mt -107.61 115.21 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.46 133.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -144.32 144.66 31.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 33.4 p90 -123.91 144.7 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.526 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 40.4 t -123.36 123.05 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 108.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.68 138.64 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.48 133.38 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.77 -31.92 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 44.2 t -80.85 150.78 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.8 11.55 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 117.03 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.9 m95 -84.92 113.35 21.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 87.2 t -84.43 141.8 39.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.35 -44.18 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 5.1 p-10 -120.13 114.01 21.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -48.31 -38.96 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.53 156.28 46.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.84 10.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 68' ' ' PHE . 15.7 m -72.67 167.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.5 -34.48 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.91 170.68 10.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.8 p -93.74 58.8 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.5 176.87 35.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 71.8 t80 -164.3 174.07 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.3 m -132.46 115.27 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -83.56 154.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.26 172.24 13.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.06 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.8 mt -146.09 148.27 34.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.02 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.7 m -63.55 121.46 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.42 47.17 6.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.33 130.01 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -75.7 96.12 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 80.4 mt -108.48 133.28 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 mt -97.37 129.31 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 23.5 m-85 -104.39 146.87 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -144.41 142.66 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.511 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.6 t -122.85 128.44 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.6 m -124.89 134.15 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.32 119.86 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 44' ' ' LEU . 4.6 m -90.86 160.53 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 90' ' ' GLY . 5.4 p30 178.62 172.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.31 -27.32 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' CB ' ' N ' ' A' ' 8' ' ' PRO . . . -72.92 -25.89 61.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 126.86 -109.47 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.52 164.72 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 p -120.16 170.06 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -48.09 136.1 11.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.6 10.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.54 54.01 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -41.38 144.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 15.6 mt -71.91 145.97 48.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.21 -16.68 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.77 150.07 32.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.64 4.32 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.443 HG13 ' CD1' ' A' ' 103' ' ' ILE . 43.9 t -126.32 133.04 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.91 -25.07 43.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.443 ' CD1' HG13 ' A' ' 101' ' ' VAL . 33.7 mm 67.41 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.35 151.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.232 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.04 170.25 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.18 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -127.67 171.38 19.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.24 108.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.04 149.77 23.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.48 99.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.978 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.55 -58.48 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.23 91.5 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -101.23 -60.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -145.22 128.74 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.52 -174.93 27.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.74 41.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 p -58.19 169.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.7 142.86 48.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.12 152.25 8.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' CG ' HG11 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 142.79 28.26 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.72 167.73 19.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 39.5 m-70 72.81 21.96 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.612 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.5 tp -83.35 108.75 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -136.76 173.33 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -94.97 108.93 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -75.46 -51.78 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -144.3 158.52 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.1 t -135.99 124.98 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 -162.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -56.08 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -116.67 14.46 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 p -145.28 155.91 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 m -142.62 159.12 42.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -114.42 150.47 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 mt -142.29 141.51 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -139.9 119.01 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.486 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 7.5 p90 -123.83 174.77 7.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HG3' ' CG ' ' A' ' 14' ' ' HIS . 3.1 mmt180 -118.67 157.35 50.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.33 43.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 174.75 12.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -104.36 -28.23 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.85 72.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 44.7 mm -59.91 -66.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.88 -125.72 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.79 144.34 44.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.22 -63.46 4.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 179.1 15.78 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.4 tt -90.31 144.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -38.44 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.9 10.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 20.0 m-85 -149.53 144.04 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.61 122.77 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 t -104.57 123.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -133.87 133.21 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 42.4 p90 -114.37 146.76 40.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.5 t -123.24 119.32 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.67 138.55 56.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -49.47 129.72 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.83 -30.01 9.05 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 34.3 t -81.1 154.34 26.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -117.29 11.44 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.33 117.2 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.542 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -81.76 119.25 23.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 57.6 t -88.49 141.48 30.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 115.28 4.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.56 75.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 13.2 p-10 -120.81 119.33 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -39.32 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 5.7 pt-20 -114.85 151.28 45.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.68 8.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.6 m -63.01 175.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.17 -39.69 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.55 172.31 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 3.9 m -94.81 57.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.6 151.12 9.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 84.5 t80 -157.56 169.89 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.0 m -128.56 123.22 32.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.6 t -90.84 153.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.48 174.82 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.87 82.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mt -143.81 144.65 27.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.04 119.88 5.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.8 m -60.9 123.45 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.57 41.09 9.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.28 130.69 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.67 97.56 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 79.1 mt -107.07 135.06 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.1 mt -97.81 125.62 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.472 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 31.7 m-85 -102.06 138.5 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.542 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -137.5 146.78 44.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 12' ' ' PRO . 2.4 t -126.09 135.17 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.34 127.31 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.32 113.39 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.94 160.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 4.8 p-10 171.9 179.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.5 -41.05 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.31 -16.85 49.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.28 -109.47 2.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 163.18 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 p -119.42 172.21 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.29 135.96 31.0 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 126.15 9.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.51 58.42 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -42.65 141.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 8.2 mt -68.27 146.22 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.59 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.46 158.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 174.82 12.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 103' ' ' ILE . 45.7 t -119.95 132.47 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -18.89 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.446 ' CD1' HG11 ' A' ' 101' ' ' VAL . 24.4 mm 62.36 100.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -177.25 147.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.17 138.43 35.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.58 141.1 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.19 150.99 16.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.58 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.4 t -90.96 130.42 36.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.6 p -117.72 148.8 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -156.15 131.59 9.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -58.59 3.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.56 153.51 21.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -50.1 138.54 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m 61.03 144.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.43 -98.1 2.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.46 24.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.537 ' H ' ' ND2' ' A' ' 87' ' ' ASN . 5.2 p -49.55 154.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.74 137.35 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.16 156.55 1.81 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.95 152.13 40.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 1.7 pt20 -142.42 157.4 44.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 23.3 m-70 76.33 32.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 16.1 tp -88.78 111.4 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -137.9 170.37 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' CG1' ' CG2' ' A' ' 20' ' ' VAL . 52.0 t -94.24 110.52 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -74.61 -44.74 49.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.85 159.42 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 103' ' ' ILE . 55.7 t -137.02 131.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.23 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.24 -44.15 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -126.49 13.03 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -144.19 162.17 37.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.76 157.45 42.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 m -112.61 151.4 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 mt -142.41 139.56 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -135.59 116.81 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 6.9 p90 -122.78 175.3 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 107.992 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 2.3 mtp180 -118.47 159.02 45.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.5 42.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.452 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 176.14 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.58 -31.83 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.51 71.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 36.0 mm -53.65 -55.22 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 -167.63 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 48.45 -163.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.56 39.02 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 165.33 40.79 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.8 tt -88.7 136.01 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -32.06 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.16 -156.99 27.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 19.0 m-85 -135.31 140.08 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -100.75 123.82 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.4 t -100.35 130.97 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -143.07 140.79 31.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.6 p90 -122.53 147.44 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.3 t -123.37 115.99 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.47 138.28 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.98 136.65 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.49 4.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 32.7 t -81.1 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.31 -1.27 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -95.26 133.08 39.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.508 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 77.5 m95 -100.07 113.2 25.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 62.0 t -85.61 141.39 36.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.64 -45.0 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.6 p-10 -120.51 123.46 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -53.35 -43.78 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.95 153.89 45.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' CB ' HG22 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.04 123.8 8.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.7 m -63.42 175.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -108.45 -37.7 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -85.23 165.3 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.525 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 15.8 m -90.42 69.14 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.21 148.66 6.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 74.7 t80 -160.52 164.07 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 m -125.83 120.38 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -86.15 154.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.78 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 54.35 81.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.2 mt -143.97 146.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.05 120.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.9 m -64.25 118.67 8.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.63 40.61 6.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.7 129.09 47.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 86.6 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 59.8 mt -100.94 134.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 mt -99.76 125.42 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.468 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 38.6 m-85 -102.18 135.69 43.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.13 137.03 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG23 ' CZ3' ' A' ' 29' ' ' TRP . 2.2 t -113.85 128.82 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 m -122.46 133.17 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -79.18 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 62' ' ' PRO . 3.6 m -93.66 158.3 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 9' ' ' THR . 6.6 p30 -178.05 175.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -56.5 -25.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.14 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.23 -109.03 1.08 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.22 168.72 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -125.76 173.34 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.13 135.63 15.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.69 15.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.79 50.92 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 m -38.68 143.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 16.2 mt -67.69 145.26 54.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.06 -25.64 67.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -143.3 152.66 58.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.02 25.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.436 HG12 ' CD1' ' A' ' 103' ' ' ILE . 53.7 t -115.41 135.91 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.5 -24.76 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 38.2 mm 66.23 94.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER 175.1 136.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.435 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -77.18 118.55 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -105.96 81.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -152.51 98.69 0.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 125.62 9.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.9 m -76.96 -60.57 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 142.81 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -73.94 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -71.46 144.69 49.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.1 -151.91 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -141.71 87.92 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.93 121.54 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.63 164.2 12.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p -67.23 166.25 14.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.366 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -67.81 138.76 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.1 157.34 2.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.0 159.39 41.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.24 168.42 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.448 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 40.6 m-70 65.5 31.91 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 22.3 tp -89.55 105.34 17.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -133.79 172.99 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.2 t -96.89 117.03 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.67 -45.83 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.09 160.0 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 103' ' ' ILE . 59.4 t -138.11 128.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -159.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.35 -53.88 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -119.76 15.18 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.4 155.11 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.27 158.33 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.5 m -115.26 146.37 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 mt -134.84 156.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -153.49 114.8 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.9 p90 -120.94 -169.31 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 11.4 mtm180 -135.65 156.83 77.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.08 43.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.66 -28.21 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.68 75.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.33 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 -126.52 6.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.78 147.44 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.41 -65.21 2.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.04 -159.57 25.58 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 tt -115.9 131.07 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.01 -32.46 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.89 -152.38 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 12.3 m-85 -135.76 141.55 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.71 133.87 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.66 145.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -162.16 150.52 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 24.4 p90 -127.39 145.86 50.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 7.7 t -123.19 107.03 11.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.2 137.7 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.22 122.41 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.62 -26.61 22.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -81.24 151.72 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -113.93 5.94 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.6 117.12 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 68.6 m95 -79.34 117.26 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 95.0 t -85.16 141.73 37.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.01 126.88 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.35 -44.45 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 8.2 p-10 -121.18 110.86 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -46.1 -32.28 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.47 149.13 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.56 12.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 m -75.02 163.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.42 -33.75 10.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.33 -178.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 p -106.13 53.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.16 174.0 38.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 90.4 t80 -167.82 171.38 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.88 118.64 22.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.1 t -87.58 154.51 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 171.39 14.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.57 77.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 mt -143.4 144.77 29.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.0 120.3 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 m -62.71 120.16 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.47 40.03 7.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.98 131.27 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -77.17 98.47 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 71.4 mt -111.59 140.87 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.12 134.94 45.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.467 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 30.4 m-85 -115.17 134.22 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 45.9 ptt85 -134.76 138.96 44.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.424 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 2.4 t -113.49 139.64 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 m -138.22 129.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.68 127.56 9.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.5 m -97.11 155.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.7 p-10 175.44 174.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -48.5 -43.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.18 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 124.69 -121.39 4.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 158.39 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.9 p -113.77 169.38 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.27 133.25 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.08 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.31 57.08 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -38.08 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 13.2 mt -81.71 141.38 33.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.79 -37.51 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -143.46 158.44 57.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.74 17.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 103' ' ' ILE . 31.1 t -115.89 135.8 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -22.47 51.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 31.8 mm 66.06 95.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -179.89 138.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.22 152.56 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.5 173.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.68 98.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 101.74 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 113.8 27.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.5 t -142.24 -58.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -83.41 140.57 32.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -172.53 150.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.85 -142.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.61 75.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.982 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t 57.74 104.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.91 176.26 24.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 150.47 38.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.9 p -55.15 161.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.99 134.14 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.29 163.42 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -74.99 163.44 35.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -153.82 165.66 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 62.2 m-70 65.52 29.86 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.631 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 24.9 tp -86.56 106.17 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -135.72 174.44 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG11 ' CG2' ' A' ' 20' ' ' VAL . 78.7 t -97.97 113.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -78.41 -47.64 17.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -143.26 169.4 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG2' HG11 ' A' ' 17' ' ' VAL . 15.7 t -149.86 123.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -157.94 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 -32.19 14.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -138.33 21.18 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 p -154.07 143.96 21.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.507 HG23 ' CE2' ' A' ' 81' ' ' PHE . 3.2 m -131.73 149.88 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' N ' HG21 ' A' ' 25' ' ' THR . 87.7 m -111.83 139.56 47.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.1 mt -131.28 151.14 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.9 119.97 9.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.501 ' CE2' ' HA ' ' A' ' 66' ' ' CYS . 11.8 p90 -126.39 173.88 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.054 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 1.7 mmp_? -115.84 155.46 47.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.21 42.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.6 -29.39 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 81.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 22.8 mm -70.23 -72.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.31 152.52 12.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.05 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.2 -46.27 8.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 144.97 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.6 tt -86.13 143.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 -27.88 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.38 -157.18 28.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD1' ' CA ' ' A' ' 85' ' ' GLY . 6.7 m-85 -138.84 143.0 38.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.46 148.87 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 134.34 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -150.76 142.1 23.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.7 p90 -118.68 145.17 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 6.9 t -123.05 117.11 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.72 137.55 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.64 118.37 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.01 -25.2 23.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -80.97 155.15 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.58 11.96 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.14 123.66 41.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 89.4 m95 -87.12 120.19 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 96.7 t -84.65 141.88 39.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.457 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.8 p-10 -121.24 111.94 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -47.26 -32.79 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -126.14 156.95 71.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.14 32.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 m -93.82 154.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.9 pt-20 -85.73 -34.71 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 2.9 ptt180 -75.23 169.65 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.501 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 3.6 m -97.32 62.8 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 108.316 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.89 169.04 33.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 77.5 t80 -170.95 173.67 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.431 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -125.0 121.48 34.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 52.5 t -95.48 115.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -104.57 173.41 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.38 78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 mt -146.69 145.47 23.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.05 126.01 9.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.4 m -67.1 124.07 22.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.41 44.73 7.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' THR . . . -133.19 130.16 38.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 99.49 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 54.0 mt -117.93 142.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 ' CA ' ' A' ' 100' ' ' PRO . 32.3 mt -100.79 151.03 22.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.507 ' CE2' HG23 ' A' ' 25' ' ' THR . 24.7 m-85 -129.05 127.9 42.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -130.51 141.05 50.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.5 129.09 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.17 126.68 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 43' ' ' TYR . . . -76.52 123.59 6.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.5 m -96.89 160.56 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 90' ' ' GLY . 3.5 p-10 172.9 -177.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.06 -43.47 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -22.23 66.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 113.44 -141.46 16.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -96.17 164.72 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.436 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 4.7 p -122.76 170.88 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.65 134.97 19.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 121.99 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.439 ' CB ' ' HG2' ' A' ' 12' ' ' PRO . . . -81.22 53.62 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -38.55 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.6 mt -75.17 141.08 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.65 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -148.97 150.49 32.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' CA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.478 HG11 ' CD1' ' A' ' 103' ' ' ILE . 43.5 t -125.73 134.55 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -78.31 -21.94 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.478 ' CD1' HG11 ' A' ' 101' ' ' VAL . 20.9 mm 64.55 97.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 179.67 139.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -83.51 152.3 24.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 p -171.46 167.73 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.65 -164.14 11.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.6 p -49.8 -59.38 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.92 81.77 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 t -74.08 134.28 42.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 110.032 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -87.21 80.73 8.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.41 -177.77 47.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.57 120.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.949 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p 174.15 143.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.73 144.94 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.84 28.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 p -53.65 179.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.58 128.08 34.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.85 162.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.0 163.23 35.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.92 166.22 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 65.64 35.19 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 tp -88.33 108.19 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.44 169.62 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.8 t -92.34 121.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.14 -41.73 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -153.31 151.16 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -130.73 124.34 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -159.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.97 -61.0 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -116.4 19.52 14.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -147.21 152.19 37.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 26' ' ' THR . 1.2 m -140.96 164.34 30.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 25' ' ' THR . 30.7 m -119.67 152.13 37.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.7 mt -140.87 151.47 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.56 121.68 10.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.516 ' CZ3' HG23 ' A' ' 83' ' ' VAL . 6.1 p90 -127.58 -172.6 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 107.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.87 152.24 78.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.68 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.99 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -28.12 11.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 76.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 21.3 mm -68.3 -80.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.94 -155.45 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 51.26 29.82 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.1 -39.63 3.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.54 -155.87 26.68 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 tt -135.24 142.09 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -38.75 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 -132.85 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.8 m-85 -149.33 141.61 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -105.48 117.06 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 t -98.1 136.35 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -150.19 136.84 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -114.99 146.02 41.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.4 t -123.13 111.15 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mt -56.03 137.37 51.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 118.78 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.73 -24.66 21.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -83.0 154.56 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -114.1 12.91 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.66 126.28 45.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.58 ' CE3' ' CD ' ' A' ' 82' ' ' ARG . 80.0 m95 -87.26 119.99 28.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 88.1 t -84.83 142.02 38.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.09 118.61 5.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.15 -42.35 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.0 p-10 -121.0 114.29 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -31.92 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -125.62 157.03 69.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.71 20.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 m -81.98 173.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 7.1 pt-20 -107.48 -33.79 7.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 14.8 ptp180 -70.12 -178.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.7 p -104.47 56.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.02 -176.24 43.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 79.6 t80 -174.61 166.46 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -128.88 123.41 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 t -90.79 154.85 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.21 169.22 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.23 76.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.37 147.09 56.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 119.58 5.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -62.59 118.22 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.35 5.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.03 135.16 43.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 99.37 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.2 mt -117.68 145.45 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.07 145.51 32.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.462 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 34.4 m-85 -119.77 128.0 53.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.58 ' CD ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -124.76 144.81 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG23 ' CZ3' ' A' ' 29' ' ' TRP . 2.4 t -123.11 130.73 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.1 130.29 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 120.69 5.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.1 m -95.22 156.58 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 177.15 -175.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -49.35 -47.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.75 -47.11 59.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.49 -101.01 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.73 150.57 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 p -108.24 175.07 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.78 136.86 78.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.24 8.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.68 58.17 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -41.03 139.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 10.8 mt -62.98 157.93 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.99 -36.85 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 14.5 pt20 -141.82 158.79 61.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 99' ' ' GLN . 18.4 Cg_endo -74.97 173.13 15.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 103' ' ' ILE . 35.1 t -120.27 135.13 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -19.96 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.465 ' CD1' HG13 ' A' ' 101' ' ' VAL . 26.3 mm 65.76 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.82 147.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 136.07 38.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.59 94.85 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -97.77 138.87 14.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.69 35.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t 52.78 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.68 107.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -109.6 83.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -46.63 154.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 -145.68 15.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.01 138.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -92.77 -67.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.95 -172.55 15.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.128 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.08 25.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.6 p -43.97 163.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 p -63.92 133.26 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.73 165.12 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.98 165.4 31.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.68 170.72 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 64.7 m-70 62.63 30.13 16.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.62 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 8.7 tp -89.05 111.77 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -142.93 170.94 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -90.18 116.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -82.56 -48.84 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -145.82 161.27 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -142.93 142.04 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -157.88 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.97 -38.86 16.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -134.83 23.51 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 p -151.21 155.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.9 m -145.05 160.63 41.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.0 m -121.86 143.55 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -133.64 142.21 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -138.75 117.09 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 10.7 p90 -119.69 179.37 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 3.9 mmt180 -120.79 154.01 57.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.35 42.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.43 -32.56 6.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.3 75.49 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.38 -78.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.79 -127.1 5.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.46 -51.94 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.41 -46.24 4.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.79 164.0 38.55 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.7 tt -95.76 135.78 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -48.3 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.14 -138.73 4.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -150.03 141.01 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -100.36 127.54 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 t -107.81 133.37 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -144.84 134.17 23.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.5 p90 -115.76 146.26 42.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.7 t -123.41 119.96 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mt -67.47 137.32 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 123.5 6.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.76 -28.69 14.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -80.83 152.85 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.44 11.67 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -117.73 104.33 10.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.4 m95 -67.1 121.7 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 61.3 t -89.05 141.41 29.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 114.97 4.15 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.09 -43.66 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 26.0 p-10 -121.16 111.15 17.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.32 -31.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 2.0 mm-40 -128.73 157.05 76.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.01 12.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.0 m -67.04 175.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.49 -40.06 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.78 178.17 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.409 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 25.1 p -99.77 44.17 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.07 8.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.489 ' CD1' HG11 ' A' ' 63' ' ' VAL . 63.7 t80 -148.55 173.3 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.67 124.18 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.6 t -98.73 121.68 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -112.93 178.36 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.88 76.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -139.5 145.54 44.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.01 119.51 5.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -59.46 115.89 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 50.84 3.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.43 131.05 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.54 87.19 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 33.9 mt -100.61 139.82 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' N ' HG23 ' A' ' 79' ' ' ILE . 22.3 mt -102.68 126.29 49.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.464 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 31.0 m-85 -101.95 141.15 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -140.08 147.45 40.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG12 ' CG ' ' A' ' 12' ' ' PRO . 2.3 t -126.23 136.14 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.85 127.95 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.14 110.65 3.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.8 m -82.99 160.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 7.5 p-10 179.39 173.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -47.04 -44.09 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.69 -39.43 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.47 -107.49 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.8 165.72 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.356 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 p -121.1 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 17.0 mp0 -50.81 132.85 28.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.55 59.52 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 144.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 9.3 mt -68.83 149.06 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -34.77 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.17 158.45 48.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 103' ' ' ILE . 23.6 t -113.2 139.3 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -23.24 37.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.459 ' CD1' HG13 ' A' ' 101' ' ' VAL . 30.1 mm 67.44 99.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.74 150.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.18 145.41 26.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -129.9 119.32 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.02 169.38 21.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.95 33.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.58 -57.16 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 t -117.98 -58.13 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.63 92.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.776 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.27 -70.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.92 164.59 34.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -120.55 -58.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.043 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 m -117.93 -57.45 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.54 165.98 21.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.16 36.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p -52.78 170.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 133.16 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.51 159.59 0.35 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.99 159.36 41.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.95 168.37 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 65.54 33.21 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.3 tp -91.15 115.4 27.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -145.55 172.36 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG12 ' CG2' ' A' ' 20' ' ' VAL . 65.5 t -94.76 113.68 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -149.96 154.47 38.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 ' CG2' HG12 ' A' ' 17' ' ' VAL . 80.5 t -132.31 135.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -157.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.78 -35.41 13.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -132.96 10.43 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 p -142.27 162.49 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -148.53 150.93 34.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -108.39 149.62 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.38 150.86 45.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.19 114.83 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE2' ' HA ' ' A' ' 66' ' ' CYS . 6.2 p90 -122.75 -179.68 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.88 154.84 80.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.57 41.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.07 175.4 11.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -103.8 -32.23 9.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.51 71.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 44.3 mm -58.98 -57.09 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.81 -110.48 2.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.04 147.36 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 -58.24 4.4 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.39 -179.39 16.31 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 tt -101.08 144.33 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -46.2 46.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.64 -143.25 7.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -141.59 143.48 33.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' HG12 ' A' ' 86' ' ' VAL . 7.9 mt -104.26 114.79 29.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.1 t -95.21 128.38 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 9.8 mt-10 -138.85 140.63 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.7 p90 -124.81 146.83 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.4 t -123.07 117.94 26.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.06 135.35 52.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.89 -29.96 10.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.098 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -80.78 150.59 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 14.23 16.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.71 116.47 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.494 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 65.4 m95 -78.15 117.93 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 66.2 t -87.87 141.45 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 117.0 4.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.61 -44.87 66.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 p-10 -121.11 114.81 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -48.37 -45.41 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.04 155.2 43.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.43 17.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 68' ' ' PHE . 17.6 m -76.7 179.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -109.76 -43.11 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.52 154.72 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.475 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 35.3 m -81.49 55.54 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.11 145.16 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' CD1' HG12 ' A' ' 63' ' ' VAL . 67.5 t80 -154.45 168.15 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -133.69 114.72 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.26 153.45 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.99 172.27 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.8 t0 58.14 83.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.0 mt -144.65 145.37 28.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.3 Cg_endo -74.99 119.46 5.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -61.96 120.01 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.43 6.31 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.94 127.76 42.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 0.819 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.79 84.58 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.468 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 73.1 mt -95.91 133.84 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.38 123.66 44.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.472 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 51.6 m-85 -102.06 135.71 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 47.0 ptt85 -136.05 134.95 38.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 12' ' ' PRO . 2.2 t -111.18 138.49 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.6 m -137.2 136.82 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.22 122.73 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.408 HG12 ' CD1' ' A' ' 44' ' ' LEU . 12.3 m -97.1 157.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 177.14 -173.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 tt -57.35 -42.82 81.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.25 77.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.95 -105.1 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 160.44 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.7 p -117.39 167.64 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -47.67 133.53 10.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.32 55.29 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -38.55 141.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 11.0 mt -65.0 143.99 57.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.92 -31.55 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -148.77 158.69 39.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.55 14.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' A' ' 103' ' ' ILE . 38.7 t -120.46 134.85 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -22.07 55.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.434 ' CD1' HG11 ' A' ' 101' ' ' VAL . 30.5 mm 66.55 94.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -177.47 140.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -81.07 147.84 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 63.53 124.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.86 82.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 163.72 34.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.31 106.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 p -124.09 144.18 50.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.47 89.8 3.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.962 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.47 101.69 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.27 -176.28 18.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -69.74 131.26 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.89 152.49 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.84 177.08 29.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.14 31.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 35' ' ' ILE . 77.7 p -51.59 166.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.39 143.11 57.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 162.52 6.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.47 ' CG ' HG13 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 158.32 42.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.808 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.64 166.36 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 65.02 36.49 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 18.1 tp -91.86 114.7 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.6 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 20' ' ' VAL . 53.3 t -95.2 112.19 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.06 -51.08 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.64 160.31 40.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' CG2' HG11 ' A' ' 17' ' ' VAL . 84.4 t -141.88 131.46 23.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -157.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -89.77 -36.11 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -131.79 8.94 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -141.69 161.3 38.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -148.53 146.64 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.3 m -101.86 146.94 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -134.67 155.02 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.34 120.32 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 5.5 p90 -128.41 178.69 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -122.66 153.76 63.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 159.63 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 175.27 11.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.579 1.831 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.99 -35.22 9.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 77.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 41.5 mm -62.75 -61.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.45 -139.78 15.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.33 138.56 47.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.48 -60.16 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.98 169.86 13.39 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.5 133.04 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.3 -43.83 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.06 -161.97 35.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.6 m-85 -128.2 140.89 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -104.21 119.23 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -96.22 126.8 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' NH1' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -137.67 140.49 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.452 ' CZ ' ' HB ' ' A' ' 56' ' ' VAL . 51.0 p90 -121.03 148.82 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.7 t -123.15 115.52 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.34 138.08 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 130.75 27.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.25 5.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 3.5 t -80.89 156.27 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -118.06 15.53 14.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -113.05 117.17 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.227 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.0 m95 -85.35 112.38 20.77 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 58.5 t -86.0 141.35 35.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.03 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.58 91.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 30.6 p-10 -120.29 115.4 23.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -39.54 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.5 151.5 48.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.4 15.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 m -79.01 166.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.06 -39.38 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -68.68 166.83 16.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.411 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -92.45 65.43 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 108.294 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.17 169.1 28.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 75.9 t80 -167.29 171.73 10.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.38 115.54 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 t -82.82 154.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.92 173.71 11.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.93 81.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 mt -141.03 146.97 45.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.469 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.0 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.8 m -61.71 116.85 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.57 46.9 4.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.36 129.87 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.0 92.39 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 70.8 mt -105.41 140.46 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.82 129.07 53.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.88 148.14 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -145.4 140.88 27.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.518 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.3 t -118.56 128.29 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.93 126.83 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.72 111.22 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.07 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.9 p30 -173.16 174.22 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.88 -31.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.66 -23.91 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 123.01 -138.2 11.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 169.67 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.7 p -128.99 166.28 19.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 2.0 mm-40 -41.7 128.61 2.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -74.97 124.03 8.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.83 52.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -40.72 145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.75 150.69 46.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.06 -23.38 58.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -142.79 149.07 48.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 103' ' ' ILE . 37.9 t -120.11 133.97 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -22.63 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 101' ' ' VAL . 28.8 mm 67.23 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.68 146.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -98.47 153.94 18.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -167.15 86.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.64 129.05 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 145.87 32.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -91.96 140.87 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.97 149.82 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -94.61 81.63 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.43 -60.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.1 138.75 10.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -149.7 160.94 43.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.02 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 175.54 40.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 144.72 30.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 p -46.21 162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 130.5 42.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.05 159.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.1 42.32 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.1 161.18 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CD2' HH21 ' A' ' 30' ' ' ARG . 83.0 m-70 65.16 44.82 3.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.9 tp -97.6 108.19 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -134.81 172.46 12.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.436 HG12 ' CG2' ' A' ' 20' ' ' VAL . 59.2 t -93.91 111.67 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 28' ' ' LYS . 68.8 mm-40 -73.4 -50.3 22.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.47 161.84 38.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 ' CG2' HG12 ' A' ' 17' ' ' VAL . 54.8 t -137.0 128.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.53 -157.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -95.2 -42.52 8.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 p -123.29 11.1 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -145.24 169.91 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -154.48 146.51 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.1 m -104.33 144.45 31.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.13 142.46 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 18' ' ' GLU . 6.0 tttt -137.2 129.5 29.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 5.7 p90 -133.2 -177.23 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.451 HH21 ' CD2' ' A' ' 14' ' ' HIS . 12.6 mtm180 -127.89 154.13 78.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 157.95 42.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 176.44 9.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.5 -31.4 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 78.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 ' CD1' ' HG2' ' A' ' 32' ' ' PRO . 27.3 mm -67.94 -58.01 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -117.22 3.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.42 144.46 51.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.64 -66.0 3.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.14 -172.43 21.76 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 tt -105.31 138.42 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -42.98 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.19 -144.7 9.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 49.5 m-85 -144.43 149.46 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.43 109.75 20.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 t -88.84 130.41 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -143.46 142.64 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 35.0 p90 -122.99 146.6 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 12.2 t -123.18 112.28 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.06 138.59 57.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.17 112.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.04 15.34 20.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -118.42 149.53 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.22 10.56 21.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.39 119.42 28.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.8 m95 -81.94 119.18 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 61.4 t -86.33 141.38 34.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 124.79 8.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.6 -43.95 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.9 p-10 -121.16 118.09 28.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -51.95 -48.23 64.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -108.48 157.77 35.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.01 129.18 12.08 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 68' ' ' PHE . 16.8 m -73.94 168.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.99 -34.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.24 174.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.45 43.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.59 170.51 39.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 83.6 t80 -159.28 172.66 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.8 m -131.34 118.24 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.64 151.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.76 170.05 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' O ' ' CD2' ' A' ' 73' ' ' LEU . 0.2 OUTLIER 57.3 90.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 72' ' ' ASP . 17.7 mt -149.77 144.26 17.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 119.06 5.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.8 m -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.43 50.75 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -137.82 130.89 30.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -71.97 98.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 65.6 mt -113.11 129.72 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 HD21 ' CA ' ' A' ' 100' ' ' PRO . 30.3 mt -98.04 127.07 43.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.456 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 43.0 m-85 -103.77 129.75 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -128.13 135.6 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.572 HG22 ' CZ3' ' A' ' 29' ' ' TRP . 2.5 t -112.95 133.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.1 127.86 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -75.58 124.52 7.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -99.06 156.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 176.36 177.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -46.54 -45.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.85 -44.6 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.78 -105.41 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -134.35 164.44 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.773 . . . . 0.0 110.304 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.8 p -122.93 173.27 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -53.02 135.24 48.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.97 6.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -77.14 58.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -44.17 138.09 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 13.0 mt -65.17 150.32 48.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.68 -39.42 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.44 158.53 68.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.403 ' CA ' HD21 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.99 173.25 14.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 103' ' ' ILE . 38.5 t -118.28 134.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -20.73 52.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.383 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.443 ' CD1' HG12 ' A' ' 101' ' ' VAL . 24.1 mm 65.84 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -179.97 145.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.68 168.24 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.1 t -136.63 112.58 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.47 142.7 22.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.6 3.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.01 141.53 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -171.22 122.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -66.66 135.83 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -120.68 -58.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.84 -99.33 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 p 178.33 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -59.73 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.79 161.75 13.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.78 30.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -47.68 155.09 0.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 138.64 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.13 159.4 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.01 159.58 41.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.53 164.68 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 68.88 34.29 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 14.6 tp -89.8 113.97 25.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -143.05 167.13 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.9 t -89.35 119.24 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 26.6 mm-40 -85.92 -46.7 10.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -146.69 153.91 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.9 t -134.36 125.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -157.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -46.56 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 p -125.76 11.06 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -141.99 155.33 45.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -143.95 160.45 40.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.5 m -117.08 145.73 43.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -134.1 149.87 51.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -142.5 116.4 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CZ3' HG23 ' A' ' 83' ' ' VAL . 5.8 p90 -122.39 177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -125.66 156.97 70.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.34 39.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.12 -24.8 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 75.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.2 mm -60.42 -68.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.26 -103.78 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.98 158.93 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.28 -62.85 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.68 138.79 5.78 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.2 tt -45.81 147.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.9 -36.98 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.47 -173.16 38.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 30.7 m-85 -125.44 144.1 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.744 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mt -106.0 119.86 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.79 135.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -150.92 149.47 29.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 48.1 p90 -129.64 150.07 51.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 t -123.17 116.88 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.57 136.67 57.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.09 116.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.67 -24.24 22.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.112 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -81.09 157.8 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -120.67 13.45 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -127.14 126.54 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.565 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 85.6 m95 -84.61 123.81 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 HG12 ' CZ ' ' A' ' 47' ' ' TYR . 37.2 t -85.86 137.63 35.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' N ' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.03 111.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.41 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.4 p-10 -121.01 119.39 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -29.8 61.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.0 153.82 64.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.07 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 m -83.59 175.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 12.9 pt-20 -108.52 -43.65 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 3.0 mpp_? -62.32 -179.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.422 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -104.64 53.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.84 169.09 35.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 80.2 t80 -164.66 165.29 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.28 127.65 52.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.8 t -95.29 154.71 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.97 171.44 14.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 58.84 73.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.19 146.85 56.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.455 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.95 119.48 5.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.6 m -63.99 121.11 13.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 45.22 6.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.72 131.78 38.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.05 98.82 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.455 ' CD1' ' HD2' ' A' ' 74' ' ' PRO . 61.0 mt -114.4 142.15 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' N ' HG21 ' A' ' 79' ' ' ILE . 31.5 mt -100.53 141.96 32.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 27.8 m-85 -116.91 131.72 56.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.565 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -131.55 140.79 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.572 HG23 ' CZ3' ' A' ' 29' ' ' TRP . 2.2 t -119.77 126.29 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.05 126.61 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.542 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.58 115.47 4.27 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 m -84.89 158.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 90' ' ' GLY . 5.9 p30 -176.32 171.88 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.58 -30.4 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.68 -19.69 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 121.54 -138.74 12.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -108.49 161.66 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.27 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.4 p -113.99 179.0 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.98 136.19 83.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.33 57.1 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 m -43.68 148.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 13.5 mt -74.12 142.3 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.55 -24.21 67.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -144.04 148.09 40.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.68 12.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 103' ' ' ILE . 39.4 t -121.8 131.65 72.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.0 -18.29 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 101' ' ' VAL . 19.7 mm 64.04 100.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.72 147.06 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.96 164.25 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -91.99 156.07 17.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.16 90.05 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 165.94 30.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 t -150.03 130.7 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t 40.05 90.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.055 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 m -90.0 167.57 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -60.11 105.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.52 118.31 1.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -119.74 106.67 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.82 151.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.38 -118.57 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.22 21.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p -39.88 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 139.23 58.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.48 159.31 0.89 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.6 41.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -137.82 166.44 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 59.38 42.95 17.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 38.6 tp -94.96 104.52 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.66 174.18 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 t -99.43 107.43 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 30.1 mm-40 -70.18 -56.51 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.46 173.97 11.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -152.63 132.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -162.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.46 -37.06 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -127.27 5.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.2 p -142.57 166.18 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -153.94 144.23 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.1 m -99.44 149.56 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -138.71 158.53 44.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.3 tttt -153.2 125.95 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 9.8 p90 -133.36 178.44 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -116.81 154.73 49.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.33 41.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 -33.19 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -98.18 86.4 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 39' ' ' GLY . 3.5 mt -107.17 -66.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.23 69.03 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 72.06 52.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.46 31.29 9.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.496 ' O ' ' CG2' ' A' ' 35' ' ' ILE . . . -82.72 111.03 3.31 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 tt -174.36 141.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -32.0 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.6 -143.96 11.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.432 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 92.3 m-85 -140.41 151.8 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' HG11 ' A' ' 86' ' ' VAL . 15.6 mt -112.53 107.25 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 15.7 t -88.91 117.87 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -126.81 143.98 51.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.247 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.1 p90 -124.48 145.64 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.511 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 53.0 t -123.24 117.73 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.44 136.3 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.33 129.46 15.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.8 -30.67 8.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.7 t -80.99 152.33 28.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.14 14.09 16.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -117.31 120.05 37.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.511 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 66.9 m95 -84.51 116.57 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 57' ' ' PRO . 61.5 t -86.99 141.64 33.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -64.42 -46.23 84.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.9 p-10 -120.96 122.51 40.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -53.96 -43.83 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -108.62 156.18 39.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.39 172.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.83 -33.81 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 169.54 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 17.6 p -91.88 47.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.07 178.65 48.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 89.0 t80 -171.09 171.45 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.66 110.71 11.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.89 154.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.22 171.13 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 52.7 84.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 mt -144.09 144.25 25.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.05 119.77 5.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -61.75 118.14 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.38 42.53 5.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.85 129.17 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 90.6 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 47' ' ' TYR . 63.7 mt -102.68 137.76 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.2 mt -103.65 125.67 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.467 ' HB2' ' CD1' ' A' ' 97' ' ' LEU . 41.9 m-85 -102.34 135.44 43.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' A' ' 94' ' ' PRO . 47.4 ptt85 -136.76 134.62 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 3.4 t -110.94 133.06 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.0 m -126.92 134.01 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.432 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.63 117.36 4.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 44' ' ' LEU . 3.6 m -96.93 158.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 177.16 -177.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.3 -40.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.47 81.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.46 -105.53 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -136.11 167.47 21.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -129.25 170.51 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.98 134.81 28.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.434 ' CB ' ' HD2' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.05 127.06 10.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.06 54.35 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -40.06 145.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 15.2 mt -70.95 147.17 48.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.42 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -143.29 150.38 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 103' ' ' ILE . 43.1 t -119.21 134.55 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -23.48 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 101' ' ' VAL . 26.0 mm 65.45 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -179.87 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 148.86 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.98 139.44 52.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.99 141.08 5.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.17 41.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.8 p -80.77 84.95 6.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.8 m -56.58 129.55 41.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 132.27 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -45.28 161.35 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.95 158.27 42.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.83 167.61 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 64.67 34.4 9.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 95' ' ' ALA . 11.4 tp -92.66 110.41 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -139.59 171.16 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.408 ' CG1' HG23 ' A' ' 20' ' ' VAL . 51.9 t -91.42 112.09 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -77.52 -55.14 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.25 165.96 25.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.743 HG22 HG23 ' A' ' 25' ' ' THR . 9.2 t -145.51 129.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -157.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.88 -50.3 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -124.65 19.95 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.2 p -146.91 149.95 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.743 HG23 HG22 ' A' ' 20' ' ' VAL . 93.1 m -139.32 155.58 47.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -114.92 145.56 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.5 mt -136.63 141.47 43.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 122.51 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.7 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -128.48 179.45 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -123.43 154.63 66.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.94 39.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.06 15.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -107.4 -33.24 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.96 6.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 27.6 m-85 -149.28 142.96 25.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.16 115.81 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 83' ' ' VAL . 3.2 t -96.82 125.06 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.6 mt-10 -135.57 136.92 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.4 p90 -119.21 146.35 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.1 t -123.23 116.62 23.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 108.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -64.77 137.31 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.3 127.51 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.81 10.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 t -80.9 156.85 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -120.55 13.54 11.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -117.45 117.35 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 77.5 m95 -81.47 113.58 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG13 ' HD2' ' A' ' 57' ' ' PRO . 99.1 t -84.52 141.7 39.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.77 78.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 9.0 p-10 -120.85 113.45 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -50.74 6.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -105.72 151.31 39.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.0 122.55 7.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG11 ' CD1' ' A' ' 68' ' ' PHE . 24.2 m -61.51 173.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.2 pt-20 -106.36 -36.27 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -79.53 165.97 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -90.82 52.43 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.16 146.94 7.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD1' HG11 ' A' ' 63' ' ' VAL . 89.4 t80 -152.89 172.05 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.2 m -130.66 118.33 20.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' THR . 27.0 t -90.33 132.23 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' HG22 ' A' ' 24' ' ' THR . 5.5 ptpt -117.56 172.83 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.586 ' O ' HD23 ' A' ' 73' ' ' LEU . 2.0 t70 59.84 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 72' ' ' ASP . 12.9 mt -146.42 145.83 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.711 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.07 119.23 5.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.4 m -61.98 116.63 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.47 44.93 4.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.57 130.38 42.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 86.69 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.711 HD11 ' HD2' ' A' ' 74' ' ' PRO . 52.4 mt -99.71 137.46 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -101.21 127.83 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.667 ' HB2' HD12 ' A' ' 97' ' ' LEU . 23.7 m-85 -103.28 142.27 34.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -141.81 140.31 32.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.7 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 t -119.3 130.71 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.1 m -128.13 127.98 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.62 119.65 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 90' ' ' GLY . 4.8 m -90.64 159.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.67 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 9.1 p30 -175.97 170.88 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -51.95 -28.24 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.67 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -72.9 -30.11 63.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 134.74 -113.39 1.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.117 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -131.06 164.61 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 p -117.43 175.95 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -53.62 137.12 53.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.429 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.96 125.45 9.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.581 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.7 52.86 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 m -38.72 147.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 81' ' ' PHE . 11.7 mt -75.82 142.54 42.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.61 -29.19 70.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -141.09 148.71 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.526 ' CG1' HD13 ' A' ' 103' ' ' ILE . 45.0 t -116.01 134.71 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.08 -25.04 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.526 HD13 ' CG1' ' A' ' 101' ' ' VAL . 29.5 mm 67.25 101.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.506 ' O ' HG12 ' A' ' 20' ' ' VAL . 3.8 mtt180 -178.82 148.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 135.13 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -47.88 163.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.04 161.44 38.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.85 169.07 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 63.89 35.51 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 95' ' ' ALA . 27.4 tp -89.66 114.4 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -142.47 174.84 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.424 HG11 ' CG2' ' A' ' 20' ' ' VAL . 41.5 t -100.64 107.93 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 32.1 mm-40 -70.87 -48.78 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -146.64 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' CG2' HG11 ' A' ' 17' ' ' VAL . 53.4 t -139.43 142.48 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -159.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.9 -49.47 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -123.4 14.48 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.5 p -141.84 167.57 21.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -156.56 152.24 27.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.7 m -107.98 150.58 26.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -137.89 156.16 48.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -151.35 118.51 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.8 p90 -125.74 -177.11 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 154.76 81.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.9 42.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -27.57 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.39 -149.57 10.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 21.0 m-85 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.5 HD12 HG11 ' A' ' 86' ' ' VAL . 9.6 mt -101.42 120.51 40.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 83' ' ' VAL . 21.0 t -97.97 131.7 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 7.6 mt-10 -141.97 141.39 32.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.4 p90 -122.49 145.64 48.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 43.2 t -123.29 116.2 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.11 134.63 53.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.92 121.51 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.44 -27.12 20.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 22.2 t -81.14 150.56 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -114.95 15.09 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.91 116.3 21.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 59.4 m95 -79.09 118.43 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 57' ' ' PRO . 82.8 t -87.01 141.63 33.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 111.93 3.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.58 85.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 25.1 p-10 -120.83 118.96 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -51.2 -48.19 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 152.39 42.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.41 19.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 68' ' ' PHE . 31.4 m -74.37 -175.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.17 -42.31 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.06 165.47 24.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.451 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 29.4 p -89.27 52.56 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.5 149.48 10.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 63' ' ' VAL . 80.1 t80 -157.69 171.41 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -134.6 124.78 25.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' THR . 5.0 t -92.22 153.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.696 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -135.18 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER 55.49 80.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.8 mt -142.48 145.28 34.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.703 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.0 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.6 m -62.22 121.84 14.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.01 45.81 6.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.31 131.11 41.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.43 97.83 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.703 HD11 ' HD2' ' A' ' 74' ' ' PRO . 70.2 mt -112.97 137.84 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.0 mt -103.9 126.41 51.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.4 m-85 -102.58 130.86 49.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -130.64 135.18 47.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 45' ' ' VAL . 2.3 t -111.85 137.17 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 92' ' ' SER . 1.4 m -133.34 134.32 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.16 114.62 3.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.5 HG11 HD12 ' A' ' 44' ' ' LEU . 19.3 m -85.85 160.61 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 6.1 p-10 177.44 173.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -49.37 -42.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.8 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 130.34 -111.83 1.19 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.27 165.26 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 84' ' ' VAL . 70.6 p -117.94 166.02 13.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.26 135.59 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.68 11.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.612 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -86.61 55.75 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 m -42.71 143.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD12 ' HB2' ' A' ' 81' ' ' PHE . 16.3 mt -70.71 141.55 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.73 -35.02 75.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -135.41 151.3 74.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 103' ' ' ILE . 42.1 t -121.35 134.28 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -21.14 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.421 ' H ' HG12 ' A' ' 101' ' ' VAL . 28.1 mm 64.79 100.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -178.88 145.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.7 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -44.42 157.28 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.93 156.6 43.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.34 168.68 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 65.87 31.18 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 95' ' ' ALA . 33.4 tp -85.32 109.25 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.05 169.45 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' CG2' ' A' ' 20' ' ' VAL . 70.9 t -93.66 121.62 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 54.7 mm-40 -85.9 -49.55 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -145.47 155.83 43.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 104' ' ' ARG . 87.7 t -133.47 126.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 -157.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.2 -43.04 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -127.68 13.06 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.8 p -145.52 154.56 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.427 HG21 ' CE2' ' A' ' 81' ' ' PHE . 1.5 m -142.13 149.76 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.9 m -106.67 141.86 37.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.99 156.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -151.0 125.02 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.9 p90 -130.95 -179.0 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.24 155.08 68.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.46 42.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -112.1 -32.57 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.14 -154.57 21.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 22.0 m-85 -141.51 142.06 33.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.3 mt -104.42 124.87 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.948 HG22 HG22 ' A' ' 83' ' ' VAL . 18.3 t -102.4 132.42 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt-10 -140.71 136.9 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 39.0 p90 -119.85 145.59 46.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.3 t -123.35 119.73 30.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 79' ' ' ILE . 1.6 mt -67.86 137.07 55.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.08 127.34 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.68 -29.06 12.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -80.99 148.5 29.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 14.74 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 123.27 42.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.7 m95 -85.05 121.56 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.563 HG13 ' HD2' ' A' ' 57' ' ' PRO . 75.6 t -91.46 141.4 25.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.08 79.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.569 HD22 HG13 ' A' ' 63' ' ' VAL . 8.2 p-10 -120.84 119.95 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.63 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -124.02 157.13 64.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.537 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 HD22 ' A' ' 59' ' ' ASN . 5.9 m -91.9 157.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -91.76 -32.14 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -69.44 166.98 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -91.81 50.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' O ' HG21 ' A' ' 63' ' ' VAL . . . 174.8 -177.07 47.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 67.6 t80 -173.35 170.72 4.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.1 m -129.7 120.41 25.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -138.15 170.3 16.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.7 t0 57.8 81.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 72' ' ' ASP . 12.5 mt -142.69 146.87 40.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.586 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.01 119.2 5.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 m -62.87 117.54 6.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.33 4.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.07 130.57 37.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -76.57 98.35 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 74' ' ' PRO . 59.8 mt -112.93 138.47 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 21.6 mt -101.46 128.44 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' HB2' HD12 ' A' ' 97' ' ' LEU . 29.8 m-85 -101.82 144.95 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -141.92 148.11 38.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.948 HG22 HG22 ' A' ' 45' ' ' VAL . 2.6 t -128.94 137.37 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -134.92 131.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.39 117.2 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.537 HG21 ' HG3' ' A' ' 62' ' ' PRO . 18.8 m -88.81 158.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.479 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 4.8 p-10 174.45 177.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -50.61 -42.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -60.65 -23.83 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 117.2 -121.43 5.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -120.72 159.12 26.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.8 p -114.96 -175.33 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 6.6 tt0 -60.68 133.38 91.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.04 118.45 5.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.624 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -75.91 61.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -46.87 143.87 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.5 mt -70.08 151.12 45.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.05 -35.36 69.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -133.7 150.01 73.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.572 ' CG1' HD13 ' A' ' 103' ' ' ILE . 37.7 t -119.78 133.52 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -25.26 42.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.572 HD13 ' CG1' ' A' ' 101' ' ' VAL . 30.5 mm 68.43 100.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.567 ' H ' HG12 ' A' ' 20' ' ' VAL . 2.6 mtt180 -176.12 146.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.96 137.88 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -54.21 166.03 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -74.97 154.91 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 165.1 29.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.458 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 66.0 m-70 65.64 36.91 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 95' ' ' ALA . 12.1 tp -92.34 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -139.39 169.82 17.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG11 ' CG2' ' A' ' 20' ' ' VAL . 64.6 t -94.46 113.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -76.95 -46.86 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.69 163.07 37.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 104' ' ' ARG . 81.8 t -138.59 136.29 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 22' ' ' ASP . 1.4 m -108.1 -157.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 21' ' ' THR . 1.4 m-20 -87.5 -49.67 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -121.95 9.47 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.73 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.5 p -140.39 165.5 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.44 HG23 HG22 ' A' ' 20' ' ' VAL . 4.7 m -151.92 162.25 41.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -115.42 146.61 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -136.99 150.19 47.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 117.45 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.695 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.7 p90 -121.15 -176.59 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 12.4 mtm180 -125.79 154.23 73.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 158.18 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.41 12.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -110.3 -22.54 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -139.85 5.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 23.9 m-85 -149.49 141.53 23.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.9 mt -102.06 127.44 48.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.711 HG22 HG22 ' A' ' 83' ' ' VAL . 21.3 t -104.87 129.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 6.9 mt-10 -141.92 137.51 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 26.0 p90 -119.52 144.49 47.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.1 t -123.38 118.9 28.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 79' ' ' ILE . 1.7 mt -65.35 134.47 53.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 6.8 tp10 -49.33 115.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.88 -26.68 12.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -80.94 150.9 28.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -113.81 14.66 18.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.92 116.22 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.496 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 54.4 m95 -78.59 124.1 27.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 57' ' ' PRO . 65.1 t -91.47 141.53 26.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.66 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 17.1 p-10 -120.95 118.34 29.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.84 -32.99 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 8.4 pt-20 -125.24 156.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.38 16.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.669 HG11 ' CD1' ' A' ' 68' ' ' PHE . 27.5 m -76.23 172.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 6.1 pt-20 -106.28 -36.19 6.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 6.6 mtm180 -70.84 169.62 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -91.53 49.1 1.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.53 175.14 44.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.669 ' CD1' HG11 ' A' ' 63' ' ' VAL . 76.1 t80 -167.83 167.7 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.1 m -126.11 119.3 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . 11.9 t -85.83 153.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -136.5 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.475 ' O ' HD23 ' A' ' 73' ' ' LEU . 7.5 t70 55.41 79.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.7 mt -142.54 143.76 27.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.699 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.99 122.38 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.3 m -64.01 118.06 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.85 44.79 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -128.96 136.78 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 46.0 mtt180 -78.01 98.15 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.699 HD11 ' HD2' ' A' ' 74' ' ' PRO . 47.7 mt -116.96 142.12 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.11 127.49 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.611 ' HB2' HD12 ' A' ' 97' ' ' LEU . 27.1 m-85 -102.1 127.76 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.54 137.1 50.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.711 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -113.72 138.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.5 m -134.04 125.54 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.78 114.58 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.4 m -84.65 160.59 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 3.3 p30 -179.2 -179.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -42.19 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.72 68.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.18 -104.25 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -134.6 166.69 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.5 p -122.3 175.64 6.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.1 mt-10 -50.65 133.41 27.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.06 116.62 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.594 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -77.95 56.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.2 m -48.29 158.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 81' ' ' PHE . 17.8 mt -79.42 144.57 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mt -68.68 -17.87 64.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -148.82 149.57 30.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.47 8.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.0 t -123.46 133.61 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -20.63 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.503 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.0 mm 63.2 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -178.44 147.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 136.33 34.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.01 158.76 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.03 161.02 39.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.82 173.44 12.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 63.94 26.2 14.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 95' ' ' ALA . 26.7 tp -83.13 109.88 17.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -139.88 167.15 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.536 ' CG1' HG23 ' A' ' 20' ' ' VAL . 36.3 t -92.49 102.64 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 9.1 mm-40 -65.21 -57.56 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 49.8 t0 -135.44 167.97 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG22 HG23 ' A' ' 25' ' ' THR . 25.0 t -145.9 122.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 -157.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -35.44 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 24' ' ' THR . 1.9 p -136.01 21.52 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 23' ' ' THR . 1.2 p -154.95 138.65 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.715 HG23 HG22 ' A' ' 20' ' ' VAL . 59.0 m -128.96 146.09 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.5 m -105.32 149.66 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -139.82 148.69 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.7 tttp -144.57 119.72 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -125.51 179.46 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.032 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -126.25 155.03 74.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.94 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -104.94 -26.19 12.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.11 -139.7 4.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 35.2 m-85 -148.06 151.32 35.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.0 mt -112.45 112.95 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.684 HG22 HG22 ' A' ' 83' ' ' VAL . 8.2 t -93.51 139.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 82' ' ' ARG . 13.0 mt-10 -151.57 143.21 23.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 22.8 p90 -122.53 145.2 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.1 t -123.21 114.32 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.65 137.24 58.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -49.46 127.21 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.07 -29.5 11.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 28.4 t -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.62 -2.41 11.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 129.07 45.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -97.07 113.27 24.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 107.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.575 HG13 ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -82.38 141.62 45.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.575 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.06 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -63.53 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.4 p-10 -121.09 126.28 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.03 81.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.89 157.17 42.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.07 126.93 10.24 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 ' HD1' ' A' ' 68' ' ' PHE . 34.0 m -64.07 178.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.57 -37.69 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -86.11 163.84 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.452 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 36.4 m -85.53 59.72 5.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.45 153.84 12.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 78.9 t80 -154.7 167.47 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -126.56 103.24 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 73' ' ' LEU . 22.0 t -78.81 129.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -122.62 178.49 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.52 68.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD21 HG12 ' A' ' 70' ' ' VAL . 6.7 mt -132.8 148.31 68.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.583 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 118.66 5.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -60.12 117.8 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.9 54.25 3.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -140.9 130.96 24.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -75.38 98.81 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 74' ' ' PRO . 54.1 mt -117.28 140.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 100' ' ' PRO . 35.1 mt -104.62 132.99 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . 28.6 m-85 -104.82 141.93 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -137.9 144.01 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.72 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 t -124.05 136.42 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 92' ' ' SER . 2.2 m -135.46 134.38 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.07 116.53 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.28 159.89 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.558 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 8.7 p-10 176.66 -178.0 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.4 tt -54.63 -42.32 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -57.21 -39.7 75.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.67 -109.31 0.69 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 161.42 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 84' ' ' VAL . 24.3 p -119.7 160.76 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -42.13 135.2 2.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.605 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -84.29 51.43 2.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -41.05 142.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.3 mt -64.67 152.61 41.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.25 -23.41 54.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -140.93 149.72 57.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.657 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.93 175.5 11.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.564 ' CG1' HD13 ' A' ' 103' ' ' ILE . 39.6 t -123.25 133.61 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -22.43 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.347 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.564 HD13 ' CG1' ' A' ' 101' ' ' VAL . 29.6 mm 67.21 100.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.489 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -178.7 145.45 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.41 133.64 34.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -49.08 162.12 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.96 156.28 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.23 166.4 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 66.08 28.06 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 95' ' ' ALA . 15.5 tp -85.2 112.28 20.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -145.38 167.08 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG11 ' CG2' ' A' ' 20' ' ' VAL . 47.8 t -91.03 109.91 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.54 -45.28 54.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.35 166.42 25.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.543 ' CG2' HG11 ' A' ' 17' ' ' VAL . 50.0 t -143.58 127.38 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.55 -158.09 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 -36.38 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -135.76 17.58 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -150.32 145.66 26.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' THR . 19.7 m -131.57 162.67 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -121.71 139.72 53.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -132.07 141.26 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.03 120.03 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 9.9 p90 -125.1 -177.24 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.86 155.77 66.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.98 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.13 -19.98 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.59 -148.72 14.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 16.7 m-85 -137.24 139.98 41.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.2 mt -98.06 130.52 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 83' ' ' VAL . 20.1 t -109.48 142.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -158.06 153.33 25.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.6 p90 -129.7 144.68 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.9 t -123.32 111.25 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD23 HG12 ' A' ' 79' ' ' ILE . 1.3 mt -59.34 139.98 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.94 125.74 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.01 -27.77 18.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 t -80.99 155.28 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -114.66 -6.17 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.1 pt-20 -98.34 124.16 42.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.6 m95 -90.89 115.35 27.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 57' ' ' PRO . 62.9 t -86.71 141.39 33.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 131.51 14.4 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.81 -45.2 12.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.0 p-10 -121.12 109.53 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASN . 7.4 mtpm? -40.13 -47.33 2.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 26.6 mt-10 -112.27 156.98 41.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.95 130.99 13.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.579 HG11 ' HD1' ' A' ' 68' ' ' PHE . 33.9 m -66.55 -175.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.12 -41.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.17 176.08 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.5 p -98.51 58.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.75 147.57 7.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.579 ' HD1' HG11 ' A' ' 63' ' ' VAL . 83.7 t80 -157.82 172.18 18.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 1.8 m -130.75 129.88 43.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.6 t -101.17 118.37 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.51 177.38 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.471 ' O ' HD23 ' A' ' 73' ' ' LEU . 20.9 m-20 59.33 77.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 72' ' ' ASP . 13.3 mt -141.95 144.26 31.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.92 123.98 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.4 m -62.33 121.98 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.95 54.36 4.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.01 131.64 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.94 97.86 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.646 HD11 ' HD2' ' A' ' 74' ' ' PRO . 58.5 mt -117.18 142.34 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 100' ' ' PRO . 26.3 mt -108.52 135.08 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.669 ' HB2' HD12 ' A' ' 97' ' ' LEU . 25.5 m-85 -112.26 129.45 56.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 51.6 ptt85 -133.68 136.58 44.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 45' ' ' VAL . 2.1 t -111.67 140.48 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 92' ' ' SER . 1.7 m -133.7 134.06 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.8 111.61 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 62' ' ' PRO . 21.2 m -82.56 160.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 8.1 p-10 173.93 175.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -52.06 -39.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.54 -21.13 66.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 119.5 -106.88 1.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -136.75 163.79 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 84' ' ' VAL . 59.8 p -118.13 165.14 14.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.43 134.24 3.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.57 12.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -84.32 52.07 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -41.82 138.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.669 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.7 mt -63.52 148.25 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.4 -26.27 66.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -144.08 153.82 57.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.542 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.03 177.93 7.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.809 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG1' HD13 ' A' ' 103' ' ' ILE . 42.1 t -124.24 134.11 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.11 -20.99 40.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.416 HD13 ' CG1' ' A' ' 101' ' ' VAL . 20.3 mm 65.87 100.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.466 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -175.9 146.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.34 147.21 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -62.79 161.96 25.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 155.27 42.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.87 162.06 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CD2' HH21 ' A' ' 30' ' ' ARG . 68.6 m-70 65.62 41.18 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 95' ' ' ALA . 13.1 tp -94.07 113.72 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -137.23 174.55 10.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 20' ' ' VAL . 40.0 t -99.64 106.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 81.5 mm-40 -68.22 -51.51 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -142.28 166.49 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG23 ' CG1' ' A' ' 17' ' ' VAL . 24.4 t -141.41 126.61 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -101.81 -162.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.28 -55.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -115.63 12.88 16.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.7 p -146.5 158.28 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' THR . 1.2 m -144.52 157.53 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -112.09 145.47 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -134.18 155.22 50.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 12.9 tttt -151.3 120.1 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.739 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.4 p90 -124.76 -176.42 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.451 HH21 ' CD2' ' A' ' 14' ' ' HIS . 10.5 mtm180 -124.59 155.05 69.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.01 42.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.96 13.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.49 -28.76 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.55 -147.72 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 24.1 m-85 -146.54 142.83 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.5 mt -103.39 119.29 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 83' ' ' VAL . 23.3 t -96.66 135.69 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -148.48 142.65 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 30.1 p90 -123.95 147.19 47.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.9 t -123.25 116.69 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 HG12 ' A' ' 79' ' ' ILE . 1.6 mt -64.43 138.6 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.67 126.89 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.6 23.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -84.23 149.34 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -110.7 12.26 22.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.56 121.35 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.8 m95 -82.79 116.73 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.017 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 57' ' ' PRO . 59.6 t -84.29 141.42 39.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 122.28 7.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.68 -44.23 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 p-10 -121.05 132.5 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.26 -48.47 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.51 157.64 37.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 133.04 16.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.742 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.6 m -81.55 157.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -91.41 -35.36 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.87 168.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.9 p -94.64 54.26 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' HG21 ' A' ' 63' ' ' VAL . . . 170.92 -179.31 42.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.742 ' CD1' HG11 ' A' ' 63' ' ' VAL . 84.6 t80 -172.34 168.84 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.0 m -126.91 121.45 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.7 t -87.67 154.25 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -138.02 169.38 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.642 ' O ' HD23 ' A' ' 73' ' ' LEU . 8.0 t70 60.24 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 72' ' ' ASP . 25.0 mt -140.12 143.14 32.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.65 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.1 m -62.62 117.79 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' HG23 ' A' ' 102' ' ' THR . . . 91.36 38.97 5.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.39 134.78 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -80.48 99.49 8.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 74' ' ' PRO . 48.8 mt -114.69 138.81 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 100' ' ' PRO . 29.7 mt -102.55 131.36 49.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.425 ' HB2' HD12 ' A' ' 97' ' ' LEU . 29.3 m-85 -104.44 142.12 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -140.15 139.21 35.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.739 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -118.8 129.14 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -124.9 129.19 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.27 119.19 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.82 160.56 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.72 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 4.4 p30 -173.12 177.83 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -49.58 -29.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.72 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -78.88 -37.06 41.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 132.42 -160.21 23.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.14 160.56 26.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.1 p -120.75 -177.46 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.31 133.24 24.76 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 125.77 9.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.522 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -83.31 52.07 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 m -40.48 149.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 97' ' ' LEU . 13.2 mt -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.46 -32.74 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -135.97 149.84 69.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.447 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.0 t -120.34 133.07 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.409 HG23 ' HA2' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.36 -20.57 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.421 ' H ' HG12 ' A' ' 101' ' ' VAL . 21.4 mm 65.03 98.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -175.06 147.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.249 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -75.82 139.71 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -47.16 159.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.98 166.74 28.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.05 168.07 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.444 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 27.9 m-70 65.4 31.12 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.7 tp -88.44 109.09 19.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.43 168.61 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.405 HG11 ' CG2' ' A' ' 20' ' ' VAL . 77.6 t -91.93 115.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -82.65 -44.52 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -148.53 161.82 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 ' H ' ' A' ' 104' ' ' ARG . 95.9 t -139.24 144.28 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -158.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 -33.78 15.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 p -136.5 16.07 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.0 p -145.59 165.78 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -153.96 150.31 28.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.6 m -106.75 150.98 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -140.27 149.07 42.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.62 118.04 8.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 6.2 p90 -125.56 173.8 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.035 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 2.0 mmp_? -116.82 156.16 48.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.2 Cg_endo -75.03 156.37 42.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.568 1.825 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.98 173.0 15.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.08 -32.71 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.15 -145.25 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 29.3 m-85 -144.2 139.93 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.8 mt -101.22 116.28 32.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 83' ' ' VAL . 12.5 t -97.11 146.04 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -161.55 140.92 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 36.5 p90 -118.13 144.32 45.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 9.3 t -123.33 127.15 48.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -73.22 137.81 45.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.36 126.3 11.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.04 11.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -81.15 142.11 33.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -105.94 14.31 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 115.09 24.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 42.9 m95 -83.44 115.55 22.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.3 t -81.99 141.56 47.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.93 122.62 7.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -79.33 -44.02 22.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 15.0 p-10 -121.13 112.15 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -50.74 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.34 158.18 33.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.01 132.21 15.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.629 HG11 ' HD1' ' A' ' 68' ' ' PHE . 16.1 m -73.84 -178.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -112.54 -45.5 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -77.29 164.92 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 6.3 m -89.83 62.61 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.94 147.41 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.629 ' HD1' HG11 ' A' ' 63' ' ' VAL . 72.3 t80 -156.39 170.69 21.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.491 ' N ' ' CD2' ' A' ' 68' ' ' PHE . 2.0 m -132.07 125.2 30.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.534 HG22 ' HB1' ' A' ' 58' ' ' ALA . 46.3 t -94.09 154.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.48 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.3 OUTLIER -138.69 170.5 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.2 t0 62.01 79.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 72' ' ' ASP . 10.2 mt -142.28 145.36 34.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.764 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -74.96 119.42 5.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 m -60.14 122.41 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.54 48.42 6.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.65 129.54 35.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 96.12 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.764 HD11 ' HD2' ' A' ' 74' ' ' PRO . 72.7 mt -110.86 138.42 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 100' ' ' PRO . 20.7 mt -104.53 132.39 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.599 ' HB2' HD12 ' A' ' 97' ' ' LEU . 58.6 m-85 -109.9 129.7 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.486 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.0 ptt85 -130.8 135.59 47.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 45' ' ' VAL . 2.3 t -112.74 141.36 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -135.52 131.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.16 108.92 2.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 62' ' ' PRO . 11.7 m -83.37 153.36 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' GLY . 2.2 p30 -170.19 172.46 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -48.99 -33.59 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.63 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 137.91 -106.55 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.32 169.14 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -124.7 -176.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 3.7 tt0 -59.62 133.51 88.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.03 122.51 7.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -79.45 58.01 2.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -45.6 143.0 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.7 mt -66.52 148.3 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.47 -20.14 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -150.01 151.6 32.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.96 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 103' ' ' ILE . 42.3 t -121.16 134.99 62.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -19.49 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.472 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.3 mm 63.78 100.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.509 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -177.7 148.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.5 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.83 143.07 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -56.24 162.09 3.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -74.96 162.67 36.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.82 167.98 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.54 35.88 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 95' ' ' ALA . 36.5 tp -88.03 111.36 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -141.88 171.46 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.438 HG11 ' CG2' ' A' ' 20' ' ' VAL . 60.7 t -95.04 115.98 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -82.54 -46.57 13.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.55 157.23 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG22 HG23 ' A' ' 25' ' ' THR . 68.5 t -137.1 146.9 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.427 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -118.29 -160.47 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.26 -41.92 17.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -129.2 3.89 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.428 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.427 ' OG1' ' CB ' ' A' ' 21' ' ' THR . 1.9 p -129.35 172.11 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 20' ' ' VAL . 3.6 m -161.9 159.38 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -118.25 146.04 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -134.94 152.0 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -144.46 123.24 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 83' ' ' VAL . 4.7 p90 -129.99 -178.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.58 41.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.52 9.82 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -105.65 -26.88 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.03 -142.01 7.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 88.2 m-85 -148.03 145.86 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.534 HD12 ' CG1' ' A' ' 86' ' ' VAL . 13.4 mt -107.61 115.21 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 83' ' ' VAL . 2.3 t -96.46 133.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -144.32 144.66 31.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 33.4 p90 -123.91 144.7 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 40.4 t -123.36 123.05 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 108.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -70.68 138.64 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.48 133.38 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.77 -31.92 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 44.2 t -80.85 150.78 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.8 11.55 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 117.03 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.9 m95 -84.92 113.35 21.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 57' ' ' PRO . 87.2 t -84.43 141.8 39.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -72.35 -44.18 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 5.1 p-10 -120.13 114.01 21.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -48.31 -38.96 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.53 156.28 46.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.496 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.02 126.84 10.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.681 HG11 ' CD1' ' A' ' 68' ' ' PHE . 15.7 m -72.67 167.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.5 -34.48 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.91 170.68 10.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.407 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 31.8 p -93.74 58.8 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.5 176.87 35.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.681 ' CD1' HG11 ' A' ' 63' ' ' VAL . 71.8 t80 -164.3 174.07 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.3 m -132.46 115.27 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -83.56 154.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -136.26 172.24 13.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.8 OUTLIER 50.06 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 72' ' ' ASP . 19.8 mt -146.09 148.27 34.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.692 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.02 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.7 m -63.55 121.46 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.42 47.17 6.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.33 130.01 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -75.7 96.12 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.692 HD11 ' HD2' ' A' ' 74' ' ' PRO . 80.4 mt -108.48 133.28 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 mt -97.37 129.31 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HB2' HD12 ' A' ' 97' ' ' LEU . 23.5 m-85 -104.39 146.87 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -144.41 142.66 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.777 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 t -122.85 128.44 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 44' ' ' LEU . 1.6 m -124.89 134.15 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.32 119.86 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.534 ' CG1' HD12 ' A' ' 44' ' ' LEU . 4.6 m -90.86 160.53 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.68 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 5.4 p30 178.62 172.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.31 -27.32 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.68 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -72.92 -25.89 61.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 126.86 -109.47 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.52 164.72 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 p -120.16 170.06 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -48.09 136.1 11.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 126.6 10.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.689 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.54 54.01 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -41.38 144.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 81' ' ' PHE . 15.6 mt -71.91 145.97 48.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.21 -16.68 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.77 150.07 32.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.64 4.32 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' HD13 ' A' ' 103' ' ' ILE . 43.9 t -126.32 133.04 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.91 -25.07 43.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.503 HD13 ' CG1' ' A' ' 101' ' ' VAL . 33.7 mm 67.41 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.534 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -178.35 151.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.232 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.7 142.86 48.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -53.12 152.25 8.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 142.79 28.26 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.72 167.73 19.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 34.5 m80 72.81 21.96 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.612 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.5 tp -83.35 108.75 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -136.76 173.33 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -94.97 108.93 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -75.46 -51.78 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -144.3 158.52 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 104' ' ' ARG . 84.1 t -135.99 124.98 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 -162.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -56.08 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -116.67 14.46 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.2 p -145.28 155.91 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 20' ' ' VAL . 71.8 m -142.62 159.12 42.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -114.42 150.47 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 mt -142.29 141.51 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -139.9 119.01 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.5 p90 -123.83 174.77 7.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HG3' ' CG ' ' A' ' 14' ' ' HIS . 3.1 mmt180 -118.67 157.35 50.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.33 43.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.75 12.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -104.36 -28.23 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.9 10.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 20.0 m-85 -149.53 144.04 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.9 mt -103.61 122.77 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 83' ' ' VAL . 6.3 t -104.57 123.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 5.3 mt-10 -133.87 133.21 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 42.4 p90 -114.37 146.76 40.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.5 t -123.24 119.32 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.67 138.55 56.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -49.47 129.72 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.83 -30.01 9.05 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 34.3 t -81.1 154.34 26.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -117.29 11.44 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.33 117.2 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.543 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -81.76 119.25 23.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG13 ' HD2' ' A' ' 57' ' ' PRO . 57.6 t -88.49 141.48 30.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.556 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 115.28 4.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.56 75.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 13.2 p-10 -120.81 119.33 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -39.32 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 5.7 pt-20 -114.85 151.28 45.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.68 8.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.627 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.6 m -63.01 175.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.17 -39.69 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.55 172.31 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 3.9 m -94.81 57.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.6 151.12 9.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.627 ' CD1' HG11 ' A' ' 63' ' ' VAL . 84.5 t80 -157.56 169.89 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.0 m -128.56 123.22 32.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' THR . 23.6 t -90.84 153.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.48 174.82 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.53 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER 55.87 82.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 72' ' ' ASP . 6.6 mt -143.81 144.65 27.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.813 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.04 119.88 5.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.8 m -60.9 123.45 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.57 41.09 9.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.28 130.69 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.67 97.56 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.813 HD11 ' HD2' ' A' ' 74' ' ' PRO . 79.1 mt -107.07 135.06 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.1 mt -97.81 125.62 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.7 m-85 -102.06 138.5 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.543 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -137.5 146.78 44.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 45' ' ' VAL . 2.4 t -126.09 135.17 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.34 127.31 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.32 113.39 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.94 160.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 4.8 p-10 171.9 179.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.5 -41.05 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -61.31 -16.85 49.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.28 -109.47 2.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 163.18 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 p -119.42 172.21 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.0 mp0 -51.29 135.96 31.0 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 126.15 9.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.486 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.51 58.42 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -42.65 141.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 81' ' ' PHE . 8.2 mt -68.27 146.22 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.59 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.46 158.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 174.82 12.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 103' ' ' ILE . 45.7 t -119.95 132.47 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -18.89 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.51 ' H ' HG12 ' A' ' 101' ' ' VAL . 24.4 mm 62.36 100.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.574 ' H ' HG12 ' A' ' 20' ' ' VAL . 3.2 mtp180 -177.25 147.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 87' ' ' ASN . 5.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.74 137.35 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.16 156.55 1.81 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.95 152.13 40.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -142.42 157.4 44.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 m80 76.33 32.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.603 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 16.1 tp -88.78 111.4 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -137.9 170.37 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.518 HG11 ' CG2' ' A' ' 20' ' ' VAL . 52.0 t -94.24 110.52 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -74.61 -44.74 49.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.85 159.42 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 104' ' ' ARG . 55.7 t -137.02 131.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.23 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.24 -44.15 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -126.49 13.03 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.9 p -144.19 162.17 37.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.549 ' OG1' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -150.76 157.45 42.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 m -112.61 151.4 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 mt -142.41 139.56 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -135.59 116.81 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.707 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.9 p90 -122.78 175.3 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 107.992 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -118.47 159.02 45.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.5 42.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.14 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.037 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.58 -31.83 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.16 -156.99 27.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 19.0 m-85 -135.31 140.08 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.8 mt -100.75 123.82 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.734 HG22 HG22 ' A' ' 83' ' ' VAL . 28.4 t -100.35 130.97 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 11.0 mt-10 -143.07 140.79 31.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.6 p90 -122.53 147.44 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.3 t -123.37 115.99 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 HG12 ' A' ' 79' ' ' ILE . 2.2 mt -64.47 138.28 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.98 136.65 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.49 4.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 32.7 t -81.1 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.31 -1.27 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -95.26 133.08 39.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.508 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 77.5 m95 -100.07 113.2 25.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG13 ' HD2' ' A' ' 57' ' ' PRO . 62.0 t -85.61 141.39 36.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.549 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -74.64 -45.0 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.6 p-10 -120.51 123.46 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -53.35 -43.78 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.95 153.89 45.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.642 ' CB ' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.04 123.8 8.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.534 HG11 ' HD1' ' A' ' 68' ' ' PHE . 30.7 m -63.42 175.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -108.45 -37.7 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -85.23 165.3 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.536 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 15.8 m -90.42 69.14 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.21 148.66 6.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.534 ' HD1' HG11 ' A' ' 63' ' ' VAL . 74.7 t80 -160.52 164.07 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.1 m -125.83 120.38 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' THR . 13.6 t -86.15 154.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -137.78 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 73' ' ' LEU . 2.2 t70 54.35 81.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 72' ' ' ASP . 10.2 mt -143.97 146.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.731 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.05 120.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.9 m -64.25 118.67 8.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.63 40.61 6.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.7 129.09 47.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 86.6 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.731 HD11 ' HD2' ' A' ' 74' ' ' PRO . 59.8 mt -100.94 134.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 mt -99.76 125.42 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.572 ' HB2' HD12 ' A' ' 97' ' ' LEU . 38.6 m-85 -102.18 135.69 43.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.13 137.03 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.734 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -113.85 128.82 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 m -122.46 133.17 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -79.18 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.642 HG21 ' CB ' ' A' ' 62' ' ' PRO . 3.6 m -93.66 158.3 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.631 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 6.6 p30 -178.05 175.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -56.5 -25.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.631 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -75.24 -25.14 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.23 -109.03 1.08 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.22 168.72 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -125.76 173.34 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.13 135.63 15.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.69 15.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.428 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -87.79 50.92 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 m -38.68 143.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 81' ' ' PHE . 16.2 mt -67.69 145.26 54.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.06 -25.64 67.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -143.3 152.66 58.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.02 25.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.406 ' CG1' HD13 ' A' ' 103' ' ' ILE . 53.7 t -115.41 135.91 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.5 -24.76 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.442 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 38.2 mm 66.23 94.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.596 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 175.1 136.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.435 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -67.81 138.76 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -52.1 157.34 2.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 159.39 41.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.24 168.42 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.464 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 40.6 m-70 65.5 31.91 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 95' ' ' ALA . 22.3 tp -89.55 105.34 17.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -133.79 172.99 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 20' ' ' VAL . 79.2 t -96.89 117.03 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.67 -45.83 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.09 160.0 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 104' ' ' ARG . 59.4 t -138.11 128.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -159.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.35 -53.88 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -119.76 15.18 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -143.4 155.11 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.502 ' OG1' HG13 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -141.27 158.33 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.5 m -115.26 146.37 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 mt -134.84 156.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -153.49 114.8 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.634 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.9 p90 -120.94 -169.31 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 11.4 mtm180 -135.65 156.83 77.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.08 43.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.66 -28.21 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.89 -152.38 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 12.3 m-85 -135.76 141.55 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 44' ' ' LEU . 5.9 mt -97.71 133.87 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 83' ' ' VAL . 13.7 t -113.66 145.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -162.16 150.52 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 24.4 p90 -127.39 145.86 50.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 7.7 t -123.19 107.03 11.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.2 137.7 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.22 122.41 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.62 -26.61 22.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -81.24 151.72 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -113.93 5.94 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.6 117.12 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 68.6 m95 -79.34 117.26 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.588 HG13 ' HD2' ' A' ' 57' ' ' PRO . 95.0 t -85.16 141.73 37.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.01 126.88 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.35 -44.45 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 8.2 p-10 -121.18 110.86 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -46.1 -32.28 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.47 149.13 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.783 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.98 129.56 12.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.686 HG11 ' HD1' ' A' ' 68' ' ' PHE . 7.4 m -75.02 163.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.42 -33.75 10.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.33 -178.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 p -106.13 53.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.16 174.0 38.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.686 ' HD1' HG11 ' A' ' 63' ' ' VAL . 90.4 t80 -167.82 171.38 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.88 118.64 22.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' THR . 38.1 t -87.58 154.51 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 171.39 14.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.511 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.9 OUTLIER 60.57 77.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.5 mt -143.4 144.77 29.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.758 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.0 120.3 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 m -62.71 120.16 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.47 40.03 7.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.98 131.27 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -77.17 98.47 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.758 HD11 ' HD2' ' A' ' 74' ' ' PRO . 71.4 mt -111.59 140.87 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.12 134.94 45.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HB2' HD12 ' A' ' 97' ' ' LEU . 30.4 m-85 -115.17 134.22 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 45.9 ptt85 -134.76 138.96 44.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.634 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.4 t -113.49 139.64 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 92' ' ' SER . 1.1 m -138.22 129.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.68 127.56 9.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.783 HG21 ' HG3' ' A' ' 62' ' ' PRO . 14.5 m -97.11 155.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.7 p-10 175.44 174.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -48.5 -43.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.18 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 124.69 -121.39 4.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 158.39 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 84' ' ' VAL . 87.9 p -113.77 169.38 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 15.1 mt-10 -47.27 133.25 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.08 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.586 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -79.31 57.08 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -38.08 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.2 mt -81.71 141.38 33.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.79 -37.51 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -143.46 158.44 57.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.74 17.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 103' ' ' ILE . 31.1 t -115.89 135.8 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -22.47 51.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.435 ' H ' HG12 ' A' ' 101' ' ' VAL . 31.8 mm 66.06 95.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.612 ' H ' HG12 ' A' ' 20' ' ' VAL . 9.2 ttt180 -179.89 138.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.99 134.14 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -50.29 163.42 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.99 163.44 35.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -153.82 165.66 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 62.2 m-70 65.52 29.86 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.631 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 95' ' ' ALA . 24.9 tp -86.56 106.17 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -135.72 174.44 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 20' ' ' VAL . 78.7 t -97.97 113.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -78.41 -47.64 17.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -143.26 169.4 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG23 ' CG1' ' A' ' 17' ' ' VAL . 15.7 t -149.86 123.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -157.94 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 -32.19 14.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 24' ' ' THR . 2.3 p -138.33 21.18 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' THR . 1.2 p -154.07 143.96 21.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 81' ' ' PHE . 3.2 m -131.73 149.88 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -111.83 139.56 47.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' HD11 ' A' ' 97' ' ' LEU . 10.1 mt -131.28 151.14 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.9 119.97 9.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.578 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 11.8 p90 -126.39 173.88 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.054 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 1.7 mmp_? -115.84 155.46 47.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.21 42.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.6 -29.39 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.38 -157.18 28.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD1' ' CA ' ' A' ' 85' ' ' GLY . 6.7 m-85 -138.84 143.0 38.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.6 mt -96.46 148.87 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.759 HG22 HG22 ' A' ' 83' ' ' VAL . 21.5 t -127.17 134.34 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -150.76 142.1 23.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.7 p90 -118.68 145.17 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 6.9 t -123.05 117.11 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 79' ' ' ILE . 1.5 mt -64.72 137.55 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.64 118.37 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.01 -25.2 23.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -80.97 155.15 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.58 11.96 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.14 123.66 41.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 89.4 m95 -87.12 120.19 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' HD2' ' A' ' 57' ' ' PRO . 96.7 t -84.65 141.88 39.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.8 p-10 -121.24 111.94 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -47.26 -32.79 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -126.14 156.95 71.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.97 146.14 32.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.5 m -93.82 154.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.9 pt-20 -85.73 -34.71 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 2.9 ptt180 -75.23 169.65 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 3.6 m -97.32 62.8 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 108.316 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.89 169.04 33.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 77.5 t80 -170.95 173.67 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.431 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -125.0 121.48 34.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG12 HD11 ' A' ' 73' ' ' LEU . 52.5 t -95.48 115.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -104.57 173.41 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.641 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.3 OUTLIER 62.38 78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.0 mt -146.69 145.47 23.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.598 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.05 126.01 9.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.4 m -67.1 124.07 22.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.41 44.73 7.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' THR . . . -133.19 130.16 38.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 99.49 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.598 HD11 ' HD2' ' A' ' 74' ' ' PRO . 54.0 mt -117.93 142.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 100' ' ' PRO . 32.3 mt -100.79 151.03 22.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 97' ' ' LEU . 24.7 m-85 -129.05 127.9 42.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -130.51 141.05 50.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.759 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -115.5 129.09 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.761 HG12 ' O ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.17 126.68 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 43' ' ' TYR . . . -76.52 123.59 6.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.564 HG21 ' HG3' ' A' ' 62' ' ' PRO . 16.5 m -96.89 160.56 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.732 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 3.5 p-10 172.9 -177.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.06 -43.47 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.732 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -63.3 -22.23 66.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 113.44 -141.46 16.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -96.17 164.72 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.761 ' O ' HG12 ' A' ' 84' ' ' VAL . 4.7 p -122.76 170.88 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.65 134.97 19.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.0 Cg_endo -75.03 121.99 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.608 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.22 53.62 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -38.55 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.6 mt -75.17 141.08 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.65 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -148.97 150.49 32.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.592 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.5 t -125.73 134.55 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -78.31 -21.94 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.436 HD11 ' HZ ' ' A' ' 81' ' ' PHE . 20.9 mm 64.55 97.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 179.67 139.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.58 128.08 34.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -45.85 162.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 163.23 35.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.92 166.22 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 65.64 35.19 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 95' ' ' ALA . 26.4 tp -88.33 108.19 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.44 169.62 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.578 HG11 ' CG2' ' A' ' 20' ' ' VAL . 75.8 t -92.34 121.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.14 -41.73 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -153.31 151.16 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 104' ' ' ARG . 94.3 t -130.73 124.34 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -159.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 103' ' ' ILE . 1.7 m-20 -79.97 -61.0 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -116.4 19.52 14.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.3 p -147.21 152.19 37.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 26' ' ' THR . 1.2 m -140.96 164.34 30.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 25' ' ' THR . 30.7 m -119.67 152.13 37.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.7 mt -140.87 151.47 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.56 121.68 10.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.678 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -127.58 -172.6 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 107.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.87 152.24 78.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.68 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -28.12 11.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 -132.85 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.8 m-85 -149.33 141.61 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.8 mt -105.48 117.06 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.87 HG22 HG22 ' A' ' 83' ' ' VAL . 16.3 t -98.1 136.35 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 15.2 mt-10 -150.19 136.84 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 38.5 p90 -114.99 146.02 41.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.4 t -123.13 111.15 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.479 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -56.03 137.37 51.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 118.78 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.73 -24.66 21.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -83.0 154.56 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -114.1 12.91 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.66 126.28 45.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.58 ' CE3' ' CD ' ' A' ' 82' ' ' ARG . 80.0 m95 -87.26 119.99 28.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.606 HG13 ' HD2' ' A' ' 57' ' ' PRO . 88.1 t -84.83 142.02 38.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.606 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.09 118.61 5.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.15 -42.35 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.0 p-10 -121.0 114.29 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -31.92 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -125.62 157.03 69.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.03 136.71 20.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.9 m -81.98 173.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 7.1 pt-20 -107.48 -33.79 7.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 14.8 ptp180 -70.12 -178.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.7 p -104.47 56.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.02 -176.24 43.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CD1' HG11 ' A' ' 63' ' ' VAL . 79.6 t80 -174.61 166.46 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -128.88 123.41 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' THR . 11.5 t -90.79 154.85 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.21 169.22 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.23 76.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.37 147.09 56.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.96 119.58 5.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -62.59 118.22 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.35 5.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.03 135.16 43.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 99.37 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' A' ' 74' ' ' PRO . 30.2 mt -117.68 145.45 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 100' ' ' PRO . 22.9 mt -107.07 145.51 32.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.675 ' HB2' HD12 ' A' ' 97' ' ' LEU . 34.4 m-85 -119.77 128.0 53.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.58 ' CD ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -124.76 144.81 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.87 HG22 HG22 ' A' ' 45' ' ' VAL . 2.4 t -123.11 130.73 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.1 130.29 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 120.69 5.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 62' ' ' PRO . 4.1 m -95.22 156.58 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 177.15 -175.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 89' ' ' ALA . 1.3 tt -49.35 -47.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 88' ' ' ILE . . . -50.75 -47.11 59.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.49 -101.01 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.73 150.57 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 p -108.24 175.07 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.78 136.86 78.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.24 8.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.65 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.68 58.17 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -41.03 139.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 81' ' ' PHE . 10.8 mt -62.98 157.93 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.99 -36.85 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 14.5 pt20 -141.82 158.79 61.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.97 173.13 15.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 103' ' ' ILE . 35.1 t -120.27 135.13 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -19.96 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 22' ' ' ASP . 26.3 mm 65.76 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.589 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -174.82 147.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 p -63.92 133.26 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -45.73 165.12 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.98 165.4 31.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.68 170.72 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 64.7 m-70 62.63 30.13 16.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.62 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 8.7 tp -89.05 111.77 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -142.93 170.94 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -90.18 116.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -82.56 -48.84 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -145.82 161.27 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 104' ' ' ARG . 82.2 t -142.93 142.04 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -157.88 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.97 -38.86 16.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -134.83 23.51 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 2.4 p -151.21 155.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.47 HG23 HG22 ' A' ' 20' ' ' VAL . 3.9 m -145.05 160.63 41.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.0 m -121.86 143.55 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -133.64 142.21 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -138.75 117.09 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.627 ' CE3' HG21 ' A' ' 83' ' ' VAL . 10.7 p90 -119.69 179.37 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 3.9 mmt180 -120.79 154.01 57.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.35 42.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.43 -32.56 6.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.14 -138.73 4.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -150.03 141.01 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.9 mt -100.36 127.54 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 83' ' ' VAL . 3.7 t -107.81 133.37 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 22.4 mt-10 -144.84 134.17 23.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.5 p90 -115.76 146.26 42.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.7 t -123.41 119.96 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 79' ' ' ILE . 2.2 mt -67.47 137.32 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 123.5 6.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.76 -28.69 14.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -80.83 152.85 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.44 11.67 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -117.73 104.33 10.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.4 m95 -67.1 121.7 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.548 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.3 t -89.05 141.41 29.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 114.97 4.15 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.09 -43.66 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 26.0 p-10 -121.16 111.15 17.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.32 -31.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 2.0 mm-40 -128.73 157.05 76.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.02 130.01 12.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.668 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.0 m -67.04 175.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.49 -40.06 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.78 178.17 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 25.1 p -99.77 44.17 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.07 8.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.668 ' CD1' HG11 ' A' ' 63' ' ' VAL . 63.7 t80 -148.55 173.3 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.67 124.18 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.568 HG12 HD21 ' A' ' 73' ' ' LEU . 22.6 t -98.73 121.68 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -112.93 178.36 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.88 76.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD21 HG12 ' A' ' 70' ' ' VAL . 6.3 mt -139.5 145.54 44.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.733 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.01 119.51 5.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -59.46 115.89 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 50.84 3.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.43 131.05 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.54 87.19 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.733 HD11 ' HD2' ' A' ' 74' ' ' PRO . 33.9 mt -100.61 139.82 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.3 mt -102.68 126.29 49.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.72 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.0 m-85 -101.95 141.15 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -140.08 147.45 40.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.627 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -126.23 136.14 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.85 127.95 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.14 110.65 3.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.679 HG21 ' HG3' ' A' ' 62' ' ' PRO . 30.8 m -82.99 160.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 7.5 p-10 179.39 173.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -47.04 -44.09 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.69 -39.43 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' VAL . . . 139.47 -107.49 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.8 165.72 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.356 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 p -121.1 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 17.0 mp0 -50.81 132.85 28.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.55 59.52 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 144.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 81' ' ' PHE . 9.3 mt -68.83 149.06 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -34.77 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.17 158.45 48.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 103' ' ' ILE . 23.6 t -113.2 139.3 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -23.24 37.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.428 HD13 ' CG1' ' A' ' 101' ' ' VAL . 30.1 mm 67.44 99.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.518 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER 176.74 150.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 133.16 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -46.51 159.59 0.35 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.58 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.99 159.36 41.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.95 168.37 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 65.54 33.21 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.3 tp -91.15 115.4 27.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -145.55 172.36 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 20' ' ' VAL . 65.5 t -94.76 113.68 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -149.96 154.47 38.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 104' ' ' ARG . 80.5 t -132.31 135.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -157.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.78 -35.41 13.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -132.96 10.43 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.664 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.9 p -142.27 162.49 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.7 m -148.53 150.93 34.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -108.39 149.62 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.38 150.86 45.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.19 114.83 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.635 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.2 p90 -122.75 -179.68 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.88 154.84 80.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.57 41.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 175.4 11.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -103.8 -32.23 9.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.64 -143.25 7.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -141.59 143.48 33.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.9 mt -104.26 114.79 29.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 83' ' ' VAL . 34.1 t -95.21 128.38 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 9.8 mt-10 -138.85 140.63 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.7 p90 -124.81 146.83 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.4 t -123.07 117.94 26.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.06 135.35 52.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.89 -29.96 10.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.098 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -80.78 150.59 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 14.23 16.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.71 116.47 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.494 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 65.4 m95 -78.15 117.93 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 66.2 t -87.87 141.45 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 117.0 4.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.61 -44.87 66.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 p-10 -121.11 114.81 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -48.37 -45.41 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.04 155.2 43.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.43 17.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 68' ' ' PHE . 17.6 m -76.7 179.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -109.76 -43.11 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.52 154.72 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 35.3 m -81.49 55.54 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.11 145.16 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.549 ' CD1' HG11 ' A' ' 63' ' ' VAL . 67.5 t80 -154.45 168.15 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.0 m -133.69 114.72 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' THR . 15.0 t -83.26 153.45 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -134.99 172.27 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.577 ' O ' HD23 ' A' ' 73' ' ' LEU . 33.8 t0 58.14 83.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 72' ' ' ASP . 20.0 mt -144.65 145.37 28.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.766 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -74.99 119.46 5.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -61.96 120.01 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.43 6.31 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.94 127.76 42.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 0.819 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.79 84.58 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.766 HD11 ' HD2' ' A' ' 74' ' ' PRO . 73.1 mt -95.91 133.84 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.38 123.66 44.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.689 ' HB2' HD12 ' A' ' 97' ' ' LEU . 51.6 m-85 -102.06 135.71 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 47.0 ptt85 -136.05 134.95 38.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -111.18 138.49 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 92' ' ' SER . 1.6 m -137.2 136.82 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.22 122.73 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.424 HG11 HD12 ' A' ' 44' ' ' LEU . 12.3 m -97.1 157.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.573 HD21 ' HB3' ' A' ' 89' ' ' ALA . 25.1 p-10 177.14 -173.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 tt -57.35 -42.82 81.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.573 ' HB3' HD21 ' A' ' 87' ' ' ASN . . . -56.06 -43.25 77.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.95 -105.1 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 160.44 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 84' ' ' VAL . 86.7 p -117.39 167.64 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.4 mm-40 -47.67 133.53 10.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.32 55.29 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -38.55 141.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' A' ' 81' ' ' PHE . 11.0 mt -65.0 143.99 57.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.92 -31.55 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -148.77 158.69 39.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.55 14.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 103' ' ' ILE . 38.7 t -120.46 134.85 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -22.07 55.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 101' ' ' VAL . 30.5 mm 66.55 94.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.482 ' H ' HG12 ' A' ' 20' ' ' VAL . 14.8 ttt180 -177.47 140.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.39 143.11 57.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -58.95 162.52 6.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.597 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 158.32 42.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.808 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.64 166.36 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 65.02 36.49 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 29' ' ' TRP . 18.1 tp -91.86 114.7 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.6 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.403 HG11 ' CG2' ' A' ' 20' ' ' VAL . 53.3 t -95.2 112.19 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.06 -51.08 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.64 160.31 40.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 104' ' ' ARG . 84.4 t -141.88 131.46 23.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -157.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -89.77 -36.11 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -131.79 8.94 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.0 p -141.69 161.3 38.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.446 ' OG1' HG13 ' A' ' 20' ' ' VAL . 1.2 m -148.53 146.64 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.3 m -101.86 146.94 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -134.67 155.02 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.34 120.32 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.798 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.5 p90 -128.41 178.69 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -122.66 153.76 63.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 159.63 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.27 11.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.579 1.831 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.99 -35.22 9.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.06 -161.97 35.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.6 m-85 -128.2 140.89 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.6 mt -104.21 119.23 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.748 HG22 HG22 ' A' ' 83' ' ' VAL . 39.1 t -96.22 126.8 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' NH1' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -137.67 140.49 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.452 ' CZ ' ' HB ' ' A' ' 56' ' ' VAL . 51.0 p90 -121.03 148.82 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.7 t -123.15 115.52 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD23 HG12 ' A' ' 79' ' ' ILE . 2.7 mt -62.34 138.08 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 130.75 27.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.25 5.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 3.5 t -80.89 156.27 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -118.06 15.53 14.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -113.05 117.17 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.227 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.0 m95 -85.35 112.38 20.77 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG13 ' HD2' ' A' ' 57' ' ' PRO . 58.5 t -86.0 141.35 35.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.556 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.03 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.58 91.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 30.6 p-10 -120.29 115.4 23.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -39.54 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.5 151.5 48.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.583 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.04 132.4 15.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.535 HG13 HD22 ' A' ' 59' ' ' ASN . 2.7 m -79.01 166.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.06 -39.38 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -68.68 166.83 16.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.445 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -92.45 65.43 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 108.294 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.17 169.1 28.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 75.9 t80 -167.29 171.73 10.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.38 115.54 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' THR . 27.8 t -82.82 154.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.621 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -138.92 173.71 11.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.491 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER 53.93 81.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 72' ' ' ASP . 13.7 mt -141.03 146.97 45.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.702 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.0 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.468 HG22 HH11 ' A' ' 104' ' ' ARG . 52.8 m -61.71 116.85 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.425 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.57 46.9 4.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.36 129.87 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.0 92.39 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.702 HD11 ' HD2' ' A' ' 74' ' ' PRO . 70.8 mt -105.41 140.46 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 18.7 mt -104.82 129.07 53.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.88 148.14 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -145.4 140.88 27.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.798 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -118.56 128.29 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -127.93 126.83 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.72 111.22 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.583 HG21 ' HG3' ' A' ' 62' ' ' PRO . 17.4 m -82.07 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.9 p30 -173.16 174.22 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.88 -31.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -73.66 -23.91 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 123.01 -138.2 11.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 169.67 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 84' ' ' VAL . 15.7 p -128.99 166.28 19.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.0 mm-40 -41.7 128.61 2.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.97 124.03 8.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.427 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.83 52.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -40.72 145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 12.8 mt -69.75 150.69 46.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.06 -23.38 58.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -142.79 149.07 48.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.511 ' CG1' HD13 ' A' ' 103' ' ' ILE . 37.9 t -120.11 133.97 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -22.63 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.511 HD13 ' CG1' ' A' ' 101' ' ' VAL . 28.8 mm 67.23 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.512 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -177.68 146.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.293 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 130.5 42.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -44.05 159.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 158.1 42.32 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.1 161.18 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CD2' HH21 ' A' ' 30' ' ' ARG . 83.0 m-70 65.16 44.82 3.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.9 tp -97.6 108.19 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -134.81 172.46 12.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 20' ' ' VAL . 59.2 t -93.91 111.67 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 28' ' ' LYS . 68.8 mm-40 -73.4 -50.3 22.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.47 161.84 38.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 17' ' ' VAL . 54.8 t -137.0 128.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.53 -157.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -95.2 -42.52 8.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 p -123.29 11.1 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.3 p -145.24 169.91 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.454 HG21 ' CE2' ' A' ' 81' ' ' PHE . 1.5 m -154.48 146.51 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.1 m -104.33 144.45 31.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.13 142.46 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 18' ' ' GLU . 6.0 tttt -137.2 129.5 29.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.714 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.7 p90 -133.2 -177.23 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.468 HH21 ' CD2' ' A' ' 14' ' ' HIS . 12.6 mtm180 -127.89 154.13 78.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 157.95 42.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.44 9.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.5 -31.4 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.19 -144.7 9.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 49.5 m-85 -144.43 149.46 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 44' ' ' LEU . 12.1 mt -110.43 109.75 20.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 83' ' ' VAL . 14.7 t -88.84 130.41 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 11.6 mt-10 -143.46 142.64 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 35.0 p90 -122.99 146.6 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 12.2 t -123.18 112.28 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.06 138.59 57.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.17 112.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.04 15.34 20.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -118.42 149.53 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.22 10.56 21.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.39 119.42 28.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.8 m95 -81.94 119.18 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.4 t -86.33 141.38 34.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.543 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 124.79 8.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.6 -43.95 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.9 p-10 -121.16 118.09 28.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -51.95 -48.23 64.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -108.48 157.77 35.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.629 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.01 129.18 12.08 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.741 HG11 ' CD1' ' A' ' 68' ' ' PHE . 16.8 m -73.94 168.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.99 -34.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.24 174.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.45 43.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.59 170.51 39.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.741 ' CD1' HG11 ' A' ' 63' ' ' VAL . 83.6 t80 -159.28 172.66 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.8 m -131.34 118.24 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.64 151.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.514 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.3 OUTLIER -130.76 170.05 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.717 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.2 OUTLIER 57.3 90.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 72' ' ' ASP . 17.7 mt -149.77 144.26 17.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.755 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 119.06 5.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.8 m -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA2' HG23 ' A' ' 102' ' ' THR . . . 87.43 50.75 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -137.82 130.89 30.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -71.97 98.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.755 HD11 ' HD2' ' A' ' 74' ' ' PRO . 65.6 mt -113.11 129.72 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 100' ' ' PRO . 30.3 mt -98.04 127.07 43.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.696 ' HB2' HD12 ' A' ' 97' ' ' LEU . 43.0 m-85 -103.77 129.75 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -128.13 135.6 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.714 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 t -112.95 133.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.1 127.86 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -75.58 124.52 7.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -99.06 156.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 176.36 177.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -46.54 -45.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.85 -44.6 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.78 -105.41 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -134.35 164.44 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.773 . . . . 0.0 110.304 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.8 p -122.93 173.27 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 66.7 mt-10 -53.02 135.24 48.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.97 6.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.704 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -77.14 58.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -44.17 138.09 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.0 mt -65.17 150.32 48.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.68 -39.42 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.44 158.53 68.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.99 173.25 14.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 103' ' ' ILE . 38.5 t -118.28 134.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.402 HG23 ' HA2' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -77.78 -20.73 52.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.383 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 101' ' ' VAL . 24.1 mm 65.84 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -179.97 145.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 138.64 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -46.13 159.4 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.01 159.58 41.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.53 164.68 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 68.88 34.29 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.6 tp -89.8 113.97 25.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -143.05 167.13 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.513 HG11 ' CG2' ' A' ' 20' ' ' VAL . 74.9 t -89.35 119.24 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 26.6 mm-40 -85.92 -46.7 10.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -146.69 153.91 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 104' ' ' ARG . 80.9 t -134.36 125.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -157.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -46.56 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 p -125.76 11.06 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.1 p -141.99 155.33 45.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -143.95 160.45 40.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.5 m -117.08 145.73 43.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -134.1 149.87 51.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -142.5 116.4 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.864 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -122.39 177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -125.66 156.97 70.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.34 39.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.12 -24.8 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 86' ' ' VAL . . . 162.47 -173.16 38.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 30.7 m-85 -125.44 144.1 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.744 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.4 mt -106.0 119.86 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 83' ' ' VAL . 4.5 t -95.79 135.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 12.7 mt-10 -150.92 149.47 29.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 48.1 p90 -129.64 150.07 51.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 t -123.17 116.88 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -63.57 136.67 57.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.09 116.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.67 -24.24 22.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.112 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -81.09 157.8 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -120.67 13.45 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -127.14 126.54 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 85.6 m95 -84.61 123.81 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG13 ' HD2' ' A' ' 57' ' ' PRO . 37.2 t -85.86 137.63 35.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.03 111.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.41 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.611 HD22 HG13 ' A' ' 63' ' ' VAL . 10.4 p-10 -121.01 119.39 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -29.8 61.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.0 153.82 64.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.99 138.07 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.64 HG11 ' CD1' ' A' ' 68' ' ' PHE . 14.5 m -83.59 175.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 12.9 pt-20 -108.52 -43.65 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 3.0 mpp_? -62.32 -179.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -104.64 53.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.84 169.09 35.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.64 ' CD1' HG11 ' A' ' 63' ' ' VAL . 80.2 t80 -164.66 165.29 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.28 127.65 52.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 24' ' ' THR . 47.8 t -95.29 154.71 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -139.97 171.44 14.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 58.84 73.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.19 146.85 56.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.62 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.95 119.48 5.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.6 m -63.99 121.11 13.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 45.22 6.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.72 131.78 38.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.05 98.82 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.62 HD11 ' HD2' ' A' ' 74' ' ' PRO . 61.0 mt -114.4 142.15 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 100' ' ' PRO . 31.5 mt -100.53 141.96 32.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.65 ' HB2' HD12 ' A' ' 97' ' ' LEU . 27.8 m-85 -116.91 131.72 56.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -131.55 140.79 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.864 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.2 t -119.77 126.29 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -123.05 126.61 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.542 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.58 115.47 4.27 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 42' ' ' GLY . 10.4 m -84.89 158.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 5.9 p30 -176.32 171.88 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.58 -30.4 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -73.68 -19.69 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 121.54 -138.74 12.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -108.49 161.66 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.27 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.604 ' O ' HG12 ' A' ' 84' ' ' VAL . 26.4 p -113.99 179.0 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 5.9 mt-10 -57.98 136.19 83.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.618 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.02 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.537 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -78.33 57.1 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 m -43.68 148.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.65 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.5 mt -74.12 142.3 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.55 -24.21 67.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -144.04 148.09 40.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.45 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.03 174.68 12.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 103' ' ' ILE . 39.4 t -121.8 131.65 72.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.0 -18.29 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.451 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.7 mm 64.04 100.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.559 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -170.72 147.06 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 139.23 58.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.48 159.31 0.89 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.663 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 153.6 41.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -137.82 166.44 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 59.38 42.95 17.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 95' ' ' ALA . 38.6 tp -94.96 104.52 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.66 174.18 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 t -99.43 107.43 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 30.1 mm-40 -70.18 -56.51 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -138.46 173.97 11.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 19' ' ' ASP . 3.0 t -152.63 132.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -162.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.46 -37.06 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -127.27 5.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 71' ' ' LYS . 3.2 p -142.57 166.18 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 HG23 HG22 ' A' ' 20' ' ' VAL . 1.2 m -153.94 144.23 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.1 m -99.44 149.56 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -138.71 158.53 44.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.3 tttt -153.2 125.95 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.8 p90 -133.36 178.44 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -116.81 154.73 49.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 153.33 41.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -75.06 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 -33.19 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.6 -143.96 11.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 92.3 m-85 -140.41 151.8 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 84' ' ' VAL . 15.6 mt -112.53 107.25 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.916 HG22 HG22 ' A' ' 83' ' ' VAL . 15.7 t -88.91 117.87 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 6.7 mt-10 -126.81 143.98 51.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.1 p90 -124.48 145.64 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 53.0 t -123.24 117.73 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -65.44 136.3 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.33 129.46 15.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.8 -30.67 8.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.7 t -80.99 152.33 28.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.14 14.09 16.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -117.31 120.05 37.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 66.9 m95 -84.51 116.57 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.5 t -86.99 141.64 33.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -64.42 -46.23 84.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.9 p-10 -120.96 122.51 40.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -53.96 -43.83 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -108.62 156.18 39.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.625 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 68' ' ' PHE . 26.9 m -74.39 172.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.83 -33.81 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 169.54 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 17.6 p -91.88 47.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.07 178.65 48.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 63' ' ' VAL . 89.0 t80 -171.09 171.45 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.66 110.71 11.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.89 154.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -137.22 171.13 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 73' ' ' LEU . 55.6 m-20 52.7 84.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 72' ' ' ASP . 11.0 mt -144.09 144.25 25.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.848 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.05 119.77 5.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -61.75 118.14 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.38 42.53 5.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.85 129.17 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 90.6 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.848 HD11 ' HD2' ' A' ' 74' ' ' PRO . 63.7 mt -102.68 137.76 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 24.2 mt -103.65 125.67 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.635 ' HB2' HD12 ' A' ' 97' ' ' LEU . 41.9 m-85 -102.34 135.44 43.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HD2' ' CB ' ' A' ' 94' ' ' PRO . 47.4 ptt85 -136.76 134.62 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.916 HG22 HG22 ' A' ' 45' ' ' VAL . 3.4 t -110.94 133.06 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 44' ' ' LEU . 3.0 m -126.92 134.01 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.63 117.36 4.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.625 HG21 ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -96.93 158.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.434 HD21 ' HB3' ' A' ' 89' ' ' ALA . 30.2 p-10 177.16 -177.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.3 -40.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 87' ' ' ASN . . . -56.77 -46.47 81.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.46 -105.53 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -136.11 167.47 21.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -129.25 170.51 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.98 134.81 28.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.435 ' CB ' ' HD2' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.05 127.06 10.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.661 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.06 54.35 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -40.06 145.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 81' ' ' PHE . 15.2 mt -70.95 147.17 48.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.42 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -143.29 150.38 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.1 t -119.21 134.55 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -23.48 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.402 ' H ' HG12 ' A' ' 101' ' ' VAL . 26.0 mm 65.45 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -179.87 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.89 155.22 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.74 116.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 125.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 158.62 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -133.69 128.27 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.21 157.34 25.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.73 28.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.432 1.754 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p -49.29 175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 132.27 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -45.28 161.35 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.95 158.27 42.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.83 167.61 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 64.67 34.4 9.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 95' ' ' ALA . 11.4 tp -92.66 110.41 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -139.59 171.16 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' CG1' HG23 ' A' ' 20' ' ' VAL . 51.9 t -91.42 112.09 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -77.52 -55.14 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.25 165.96 25.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.743 HG22 HG23 ' A' ' 25' ' ' THR . 9.2 t -145.51 129.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -157.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.88 -50.3 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -124.65 19.95 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.2 p -146.91 149.95 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.743 HG23 HG22 ' A' ' 20' ' ' VAL . 93.1 m -139.32 155.58 47.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -114.92 145.56 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.5 mt -136.63 141.47 43.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 122.51 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.7 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -128.48 179.45 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -123.43 154.63 66.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.94 39.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.06 15.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -107.4 -33.24 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -96.43 80.98 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -104.61 -63.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.81 -150.23 42.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.91 151.68 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 -61.87 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 145.94 5.53 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.1 tt -73.92 141.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.16 -44.24 30.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.96 6.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 27.6 m-85 -149.28 142.96 25.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.16 115.81 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 83' ' ' VAL . 3.2 t -96.82 125.06 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.6 mt-10 -135.57 136.92 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.4 p90 -119.21 146.35 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.1 t -123.23 116.62 23.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 108.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -64.77 137.31 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.3 127.51 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.81 10.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 t -80.9 156.85 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -120.55 13.54 11.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -117.45 117.35 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 77.5 m95 -81.47 113.58 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG13 ' HD2' ' A' ' 57' ' ' PRO . 99.1 t -84.52 141.7 39.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.77 78.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 9.0 p-10 -120.85 113.45 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -50.74 6.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -105.72 151.31 39.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.0 122.55 7.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG11 ' CD1' ' A' ' 68' ' ' PHE . 24.2 m -61.51 173.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.2 pt-20 -106.36 -36.27 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -79.53 165.97 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -90.82 52.43 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.16 146.94 7.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD1' HG11 ' A' ' 63' ' ' VAL . 89.4 t80 -152.89 172.05 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.2 m -130.66 118.33 20.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' THR . 27.0 t -90.33 132.23 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' HG22 ' A' ' 24' ' ' THR . 5.5 ptpt -117.56 172.83 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.586 ' O ' HD23 ' A' ' 73' ' ' LEU . 2.0 t70 59.84 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 72' ' ' ASP . 12.9 mt -146.42 145.83 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.711 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.07 119.23 5.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.4 m -61.98 116.63 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.47 44.93 4.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.57 130.38 42.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 86.69 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.711 HD11 ' HD2' ' A' ' 74' ' ' PRO . 52.4 mt -99.71 137.46 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -101.21 127.83 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.667 ' HB2' HD12 ' A' ' 97' ' ' LEU . 23.7 m-85 -103.28 142.27 34.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -141.81 140.31 32.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.7 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 t -119.3 130.71 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.1 m -128.13 127.98 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.62 119.65 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 90' ' ' GLY . 4.8 m -90.64 159.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.67 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 9.1 p30 -175.97 170.88 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -51.95 -28.24 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.67 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -72.9 -30.11 63.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 134.74 -113.39 1.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.117 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -131.06 164.61 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 p -117.43 175.95 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -53.62 137.12 53.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.429 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.96 125.45 9.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.581 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.7 52.86 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 m -38.72 147.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 81' ' ' PHE . 11.7 mt -75.82 142.54 42.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.61 -29.19 70.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -141.09 148.71 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.526 ' CG1' HD13 ' A' ' 103' ' ' ILE . 45.0 t -116.01 134.71 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.08 -25.04 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.526 HD13 ' CG1' ' A' ' 101' ' ' VAL . 29.5 mm 67.25 101.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.506 ' O ' HG12 ' A' ' 20' ' ' VAL . 3.8 mtt180 -178.82 148.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.4 129.59 44.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 111.54 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.03 178.43 30.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.0 m -158.23 159.57 36.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.37 89.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 109.974 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.84 86.3 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.734 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.06 155.32 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.27 141.5 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -105.76 138.36 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -119.24 130.6 55.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.18 -143.38 7.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.38 26.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 35' ' ' ILE . 69.5 p -45.72 166.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 135.13 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -47.88 163.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.04 161.44 38.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.85 169.07 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 63.89 35.51 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 95' ' ' ALA . 27.4 tp -89.66 114.4 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -142.47 174.84 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.424 HG11 ' CG2' ' A' ' 20' ' ' VAL . 41.5 t -100.64 107.93 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 32.1 mm-40 -70.87 -48.78 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -146.64 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' CG2' HG11 ' A' ' 17' ' ' VAL . 53.4 t -139.43 142.48 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -159.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.9 -49.47 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -123.4 14.48 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.5 p -141.84 167.57 21.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -156.56 152.24 27.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.7 m -107.98 150.58 26.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -137.89 156.16 48.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -151.35 118.51 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.8 p90 -125.74 -177.11 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 154.76 81.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.9 42.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.581 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -27.57 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.5 75.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.581 HD13 ' HG2' ' A' ' 32' ' ' PRO . 31.8 mm -67.47 -58.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.59 -77.22 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.66 164.3 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.17 -38.04 1.72 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.87 139.8 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.82 138.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -48.67 68.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.39 -149.57 10.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 21.0 m-85 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD12 HG11 ' A' ' 86' ' ' VAL . 9.6 mt -101.42 120.51 40.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 83' ' ' VAL . 21.0 t -97.97 131.7 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 7.6 mt-10 -141.97 141.39 32.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.4 p90 -122.49 145.64 48.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 43.2 t -123.29 116.2 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.11 134.63 53.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.92 121.51 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.44 -27.12 20.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 22.2 t -81.14 150.56 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -114.95 15.09 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.91 116.3 21.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 59.4 m95 -79.09 118.43 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 57' ' ' PRO . 82.8 t -87.01 141.63 33.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 111.93 3.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.58 85.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 25.1 p-10 -120.83 118.96 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -51.2 -48.19 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 152.39 42.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.41 19.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 68' ' ' PHE . 31.4 m -74.37 -175.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.17 -42.31 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.06 165.47 24.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.451 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 29.4 p -89.27 52.56 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.5 149.48 10.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 63' ' ' VAL . 80.1 t80 -157.69 171.41 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -134.6 124.78 25.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' THR . 5.0 t -92.22 153.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.696 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -135.18 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER 55.49 80.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.8 mt -142.48 145.28 34.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.703 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.0 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.6 m -62.22 121.84 14.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.01 45.81 6.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.31 131.11 41.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.43 97.83 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.703 HD11 ' HD2' ' A' ' 74' ' ' PRO . 70.2 mt -112.97 137.84 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.0 mt -103.9 126.41 51.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.4 m-85 -102.58 130.86 49.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -130.64 135.18 47.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 45' ' ' VAL . 2.3 t -111.85 137.17 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 92' ' ' SER . 1.4 m -133.34 134.32 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.16 114.62 3.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.5 HG11 HD12 ' A' ' 44' ' ' LEU . 19.3 m -85.85 160.61 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 6.1 p-10 177.44 173.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -49.37 -42.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.8 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 130.34 -111.83 1.19 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.27 165.26 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 84' ' ' VAL . 70.6 p -117.94 166.02 13.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.26 135.59 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.68 11.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.612 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -86.61 55.75 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 m -42.71 143.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD12 ' HB2' ' A' ' 81' ' ' PHE . 16.3 mt -70.71 141.55 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.73 -35.02 75.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -135.41 151.3 74.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 103' ' ' ILE . 42.1 t -121.35 134.28 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -21.14 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.421 ' H ' HG12 ' A' ' 101' ' ' VAL . 28.1 mm 64.79 100.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -178.88 145.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.2 176.94 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 95.0 p -132.28 143.34 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.39 102.54 2.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 110' ' ' SER . 18.3 Cg_endo -75.03 98.75 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.557 1.819 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 t 65.3 -75.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 108' ' ' PRO . 3.1 m -91.91 86.54 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.06 97.69 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.77 153.99 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.955 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.17 129.09 2.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -163.38 124.86 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 0.716 . . . . 0.0 110.022 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -135.57 153.64 51.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.13 -144.31 4.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.127 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 148.29 35.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -49.43 176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.7 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -44.42 157.28 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.93 156.6 43.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.34 168.68 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 65.87 31.18 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 95' ' ' ALA . 33.4 tp -85.32 109.25 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.05 169.45 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' CG2' ' A' ' 20' ' ' VAL . 70.9 t -93.66 121.62 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 54.7 mm-40 -85.9 -49.55 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -145.47 155.83 43.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 104' ' ' ARG . 87.7 t -133.47 126.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 -157.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.2 -43.04 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -127.68 13.06 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.8 p -145.52 154.56 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.427 HG21 ' CE2' ' A' ' 81' ' ' PHE . 1.5 m -142.13 149.76 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.9 m -106.67 141.86 37.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.99 156.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -151.0 125.02 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.9 p90 -130.95 -179.0 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.24 155.08 68.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.46 42.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -112.1 -32.57 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -98.31 82.58 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mt -106.76 -79.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 39.31 82.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 36' ' ' GLY . . . 174.18 43.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.62 -43.35 3.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.81 137.11 3.78 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.8 tt -50.83 140.04 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.757 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.5 -44.48 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.14 -154.57 21.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 22.0 m-85 -141.51 142.06 33.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.3 mt -104.42 124.87 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.948 HG22 HG22 ' A' ' 83' ' ' VAL . 18.3 t -102.4 132.42 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt-10 -140.71 136.9 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 39.0 p90 -119.85 145.59 46.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.3 t -123.35 119.73 30.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 79' ' ' ILE . 1.6 mt -67.86 137.07 55.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.08 127.34 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.68 -29.06 12.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -80.99 148.5 29.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 14.74 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 123.27 42.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.7 m95 -85.05 121.56 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.563 HG13 ' HD2' ' A' ' 57' ' ' PRO . 75.6 t -91.46 141.4 25.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.08 79.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.569 HD22 HG13 ' A' ' 63' ' ' VAL . 8.2 p-10 -120.84 119.95 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.63 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -124.02 157.13 64.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.537 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 HD22 ' A' ' 59' ' ' ASN . 5.9 m -91.9 157.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -91.76 -32.14 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -69.44 166.98 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -91.81 50.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' O ' HG21 ' A' ' 63' ' ' VAL . . . 174.8 -177.07 47.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 67.6 t80 -173.35 170.72 4.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.1 m -129.7 120.41 25.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -138.15 170.3 16.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.7 t0 57.8 81.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 72' ' ' ASP . 12.5 mt -142.69 146.87 40.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.586 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.01 119.2 5.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 m -62.87 117.54 6.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.33 4.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.07 130.57 37.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -76.57 98.35 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 74' ' ' PRO . 59.8 mt -112.93 138.47 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 21.6 mt -101.46 128.44 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' HB2' HD12 ' A' ' 97' ' ' LEU . 29.8 m-85 -101.82 144.95 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -141.92 148.11 38.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.948 HG22 HG22 ' A' ' 45' ' ' VAL . 2.6 t -128.94 137.37 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -134.92 131.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.39 117.2 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.537 HG21 ' HG3' ' A' ' 62' ' ' PRO . 18.8 m -88.81 158.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 4.8 p-10 174.45 177.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -50.61 -42.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -60.65 -23.83 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 117.2 -121.43 5.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -120.72 159.12 26.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.8 p -114.96 -175.33 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 6.6 tt0 -60.68 133.38 91.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.04 118.45 5.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.624 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -75.91 61.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -46.87 143.87 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.5 mt -70.08 151.12 45.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.05 -35.36 69.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -133.7 150.01 73.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.572 ' CG1' HD13 ' A' ' 103' ' ' ILE . 37.7 t -119.78 133.52 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -25.26 42.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.572 HD13 ' CG1' ' A' ' 101' ' ' VAL . 30.5 mm 68.43 100.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.567 ' H ' HG12 ' A' ' 20' ' ' VAL . 2.6 mtt180 -176.12 146.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.02 154.87 17.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 146.11 23.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.54 172.67 54.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.54 4.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.63 89.16 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 t -167.95 93.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -86.0 126.79 34.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -147.77 135.13 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 136.56 4.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -131.23 99.56 4.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -150.18 177.0 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.23 -128.67 1.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.02 16.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.43 1.753 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.406 ' H ' HG23 ' A' ' 9' ' ' THR . 80.9 p -40.73 161.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.96 137.88 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -54.21 166.03 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -74.97 154.91 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 165.1 29.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.458 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 66.0 m-70 65.64 36.91 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 95' ' ' ALA . 12.1 tp -92.34 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -139.39 169.82 17.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG11 ' CG2' ' A' ' 20' ' ' VAL . 64.6 t -94.46 113.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -76.95 -46.86 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.69 163.07 37.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 104' ' ' ARG . 81.8 t -138.59 136.29 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 22' ' ' ASP . 1.4 m -108.1 -157.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 21' ' ' THR . 1.4 m-20 -87.5 -49.67 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -121.95 9.47 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.73 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.5 p -140.39 165.5 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.44 HG23 HG22 ' A' ' 20' ' ' VAL . 4.7 m -151.92 162.25 41.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -115.42 146.61 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -136.99 150.19 47.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 117.45 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.695 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.7 p90 -121.15 -176.59 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 12.4 mtm180 -125.79 154.23 73.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 158.18 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.41 12.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -110.3 -22.54 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.38 82.25 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.32 -62.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -158.07 48.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 153.94 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.68 -56.77 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 166.01 40.32 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.5 tt -95.38 143.97 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -44.61 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -139.85 5.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 23.9 m-85 -149.49 141.53 23.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.9 mt -102.06 127.44 48.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.711 HG22 HG22 ' A' ' 83' ' ' VAL . 21.3 t -104.87 129.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 6.9 mt-10 -141.92 137.51 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 26.0 p90 -119.52 144.49 47.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.1 t -123.38 118.9 28.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 79' ' ' ILE . 1.7 mt -65.35 134.47 53.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 6.8 tp10 -49.33 115.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.88 -26.68 12.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -80.94 150.9 28.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -113.81 14.66 18.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.92 116.22 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.496 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 54.4 m95 -78.59 124.1 27.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 57' ' ' PRO . 65.1 t -91.47 141.53 26.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.66 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 17.1 p-10 -120.95 118.34 29.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.84 -32.99 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 8.4 pt-20 -125.24 156.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.38 16.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.669 HG11 ' CD1' ' A' ' 68' ' ' PHE . 27.5 m -76.23 172.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 6.1 pt-20 -106.28 -36.19 6.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 6.6 mtm180 -70.84 169.62 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -91.53 49.1 1.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.53 175.14 44.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.669 ' CD1' HG11 ' A' ' 63' ' ' VAL . 76.1 t80 -167.83 167.7 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.1 m -126.11 119.3 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . 11.9 t -85.83 153.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -136.5 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.475 ' O ' HD23 ' A' ' 73' ' ' LEU . 7.5 t70 55.41 79.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.7 mt -142.54 143.76 27.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.699 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.99 122.38 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.3 m -64.01 118.06 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.85 44.79 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -128.96 136.78 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 46.0 mtt180 -78.01 98.15 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.699 HD11 ' HD2' ' A' ' 74' ' ' PRO . 47.7 mt -116.96 142.12 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.11 127.49 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.611 ' HB2' HD12 ' A' ' 97' ' ' LEU . 27.1 m-85 -102.1 127.76 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.54 137.1 50.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.711 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -113.72 138.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.5 m -134.04 125.54 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.78 114.58 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.4 m -84.65 160.59 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 3.3 p30 -179.2 -179.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -42.19 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.72 68.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.18 -104.25 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -134.6 166.69 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.5 p -122.3 175.64 6.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.1 mt-10 -50.65 133.41 27.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.06 116.62 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.594 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -77.95 56.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.2 m -48.29 158.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 81' ' ' PHE . 17.8 mt -79.42 144.57 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mt -68.68 -17.87 64.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -148.82 149.57 30.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.47 8.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.0 t -123.46 133.61 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -20.63 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.503 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.0 mm 63.2 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -178.44 147.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.93 178.3 5.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.6 p -121.68 107.35 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.3 147.41 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -61.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -56.82 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.59 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.77 113.86 17.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 152.34 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.59 170.58 19.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.25 -60.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.57 114.14 22.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.15 165.93 12.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.73 28.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 35' ' ' ILE . 58.5 p -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 136.33 34.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.01 158.76 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.03 161.02 39.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.82 173.44 12.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 63.94 26.2 14.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 95' ' ' ALA . 26.7 tp -83.13 109.88 17.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -139.88 167.15 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.536 ' CG1' HG23 ' A' ' 20' ' ' VAL . 36.3 t -92.49 102.64 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 9.1 mm-40 -65.21 -57.56 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 49.8 t0 -135.44 167.97 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG22 HG23 ' A' ' 25' ' ' THR . 25.0 t -145.9 122.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 -157.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -35.44 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 24' ' ' THR . 1.9 p -136.01 21.52 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 23' ' ' THR . 1.2 p -154.95 138.65 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.715 HG23 HG22 ' A' ' 20' ' ' VAL . 59.0 m -128.96 146.09 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.5 m -105.32 149.66 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -139.82 148.69 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.7 tttp -144.57 119.72 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -125.51 179.46 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.032 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -126.25 155.03 74.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.94 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.667 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -104.94 -26.19 12.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 82.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.667 HD13 ' HG2' ' A' ' 32' ' ' PRO . 16.2 mm -74.91 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.07 57.87 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . 51.81 -176.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.74 -69.93 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' ALA . . . 108.55 137.76 8.21 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.511 HD11 ' HA3' ' A' ' 85' ' ' GLY . 11.0 tt -65.49 138.92 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 0.727 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -48.89 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.11 -139.7 4.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 35.2 m-85 -148.06 151.32 35.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.0 mt -112.45 112.95 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.684 HG22 HG22 ' A' ' 83' ' ' VAL . 8.2 t -93.51 139.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 82' ' ' ARG . 13.0 mt-10 -151.57 143.21 23.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 22.8 p90 -122.53 145.2 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.1 t -123.21 114.32 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.65 137.24 58.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -49.46 127.21 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.07 -29.5 11.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 28.4 t -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.62 -2.41 11.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 129.07 45.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -97.07 113.27 24.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 107.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.575 HG13 ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -82.38 141.62 45.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.575 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.06 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -63.53 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.4 p-10 -121.09 126.28 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.03 81.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.89 157.17 42.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.07 126.93 10.24 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 ' HD1' ' A' ' 68' ' ' PHE . 34.0 m -64.07 178.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.57 -37.69 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -86.11 163.84 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.452 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 36.4 m -85.53 59.72 5.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.45 153.84 12.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 78.9 t80 -154.7 167.47 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -126.56 103.24 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 73' ' ' LEU . 22.0 t -78.81 129.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -122.62 178.49 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.52 68.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD21 HG12 ' A' ' 70' ' ' VAL . 6.7 mt -132.8 148.31 68.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.583 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 118.66 5.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -60.12 117.8 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.9 54.25 3.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -140.9 130.96 24.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -75.38 98.81 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 74' ' ' PRO . 54.1 mt -117.28 140.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 100' ' ' PRO . 35.1 mt -104.62 132.99 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . 28.6 m-85 -104.82 141.93 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -137.9 144.01 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.72 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 t -124.05 136.42 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 92' ' ' SER . 2.2 m -135.46 134.38 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 40' ' ' ILE . . . -84.07 116.53 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.28 159.89 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.558 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 8.7 p-10 176.66 -178.0 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.4 tt -54.63 -42.32 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -57.21 -39.7 75.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.67 -109.31 0.69 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 161.42 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 84' ' ' VAL . 24.3 p -119.7 160.76 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -42.13 135.2 2.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.605 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -84.29 51.43 2.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -41.05 142.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.3 mt -64.67 152.61 41.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.25 -23.41 54.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -140.93 149.72 57.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.657 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.93 175.5 11.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.564 ' CG1' HD13 ' A' ' 103' ' ' ILE . 39.6 t -123.25 133.61 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -22.43 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.347 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.564 HD13 ' CG1' ' A' ' 101' ' ' VAL . 29.6 mm 67.21 100.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.489 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -178.7 145.45 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.84 150.03 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -158.45 148.47 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -142.08 157.56 26.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.81 27.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.29 109.0 21.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 t -147.67 122.78 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -174.71 101.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -93.79 -58.09 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.83 162.58 37.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -68.88 143.59 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.747 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -147.43 101.73 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.42 160.9 27.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.43 33.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 35' ' ' ILE . 80.5 p -66.61 -172.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.41 133.64 34.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -49.08 162.12 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.96 156.28 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.23 166.4 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 66.08 28.06 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 95' ' ' ALA . 15.5 tp -85.2 112.28 20.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -145.38 167.08 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG11 ' CG2' ' A' ' 20' ' ' VAL . 47.8 t -91.03 109.91 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.54 -45.28 54.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.35 166.42 25.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.543 ' CG2' HG11 ' A' ' 17' ' ' VAL . 50.0 t -143.58 127.38 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.55 -158.09 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 -36.38 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -135.76 17.58 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -150.32 145.66 26.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' THR . 19.7 m -131.57 162.67 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -121.71 139.72 53.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -132.07 141.26 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.03 120.03 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 9.9 p90 -125.1 -177.24 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.86 155.77 66.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.98 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.13 -19.98 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.57 72.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 9' ' ' THR . 1.3 mt -83.98 -72.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.34 -163.63 34.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 48.88 -162.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.62 3.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 161.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.2 tt -82.0 131.69 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -60.35 -43.02 96.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.59 -148.72 14.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 16.7 m-85 -137.24 139.98 41.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.2 mt -98.06 130.52 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 83' ' ' VAL . 20.1 t -109.48 142.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -158.06 153.33 25.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.6 p90 -129.7 144.68 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.9 t -123.32 111.25 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD23 HG12 ' A' ' 79' ' ' ILE . 1.3 mt -59.34 139.98 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.94 125.74 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.01 -27.77 18.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 t -80.99 155.28 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -114.66 -6.17 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.1 pt-20 -98.34 124.16 42.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.6 m95 -90.89 115.35 27.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 57' ' ' PRO . 62.9 t -86.71 141.39 33.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 131.51 14.4 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.81 -45.2 12.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.0 p-10 -121.12 109.53 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASN . 7.4 mtpm? -40.13 -47.33 2.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 26.6 mt-10 -112.27 156.98 41.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.95 130.99 13.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.579 HG11 ' HD1' ' A' ' 68' ' ' PHE . 33.9 m -66.55 -175.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.12 -41.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.17 176.08 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.5 p -98.51 58.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.75 147.57 7.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.579 ' HD1' HG11 ' A' ' 63' ' ' VAL . 83.7 t80 -157.82 172.18 18.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 1.8 m -130.75 129.88 43.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.6 t -101.17 118.37 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.51 177.38 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.471 ' O ' HD23 ' A' ' 73' ' ' LEU . 20.9 m-20 59.33 77.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 72' ' ' ASP . 13.3 mt -141.95 144.26 31.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.92 123.98 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.4 m -62.33 121.98 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.95 54.36 4.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.01 131.64 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.94 97.86 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.646 HD11 ' HD2' ' A' ' 74' ' ' PRO . 58.5 mt -117.18 142.34 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 100' ' ' PRO . 26.3 mt -108.52 135.08 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.669 ' HB2' HD12 ' A' ' 97' ' ' LEU . 25.5 m-85 -112.26 129.45 56.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 51.6 ptt85 -133.68 136.58 44.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 45' ' ' VAL . 2.1 t -111.67 140.48 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 92' ' ' SER . 1.7 m -133.7 134.06 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.8 111.61 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 62' ' ' PRO . 21.2 m -82.56 160.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 8.1 p-10 173.93 175.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -52.06 -39.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.54 -21.13 66.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 119.5 -106.88 1.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -136.75 163.79 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 84' ' ' VAL . 59.8 p -118.13 165.14 14.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.43 134.24 3.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.57 12.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -84.32 52.07 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -41.82 138.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.669 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.7 mt -63.52 148.25 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.4 -26.27 66.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -144.08 153.82 57.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.542 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.03 177.93 7.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.809 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG1' HD13 ' A' ' 103' ' ' ILE . 42.1 t -124.24 134.11 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.11 -20.99 40.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.416 HD13 ' CG1' ' A' ' 101' ' ' VAL . 20.3 mm 65.87 100.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -175.9 146.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.02 155.11 17.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 p -105.63 154.02 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.65 -179.45 15.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 99.43 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 m 62.97 107.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.62 156.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -129.51 84.0 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.46 137.48 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.66 100.49 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.25 -59.11 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.065 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -105.99 125.89 51.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 166.94 23.96 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.96 134.24 17.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.819 HG22 ' O ' ' A' ' 35' ' ' ILE . 8.0 p -42.77 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.34 147.21 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -62.79 161.96 25.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 155.27 42.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.87 162.06 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CD2' HH21 ' A' ' 30' ' ' ARG . 68.6 m-70 65.62 41.18 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 95' ' ' ALA . 13.1 tp -94.07 113.72 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -137.23 174.55 10.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 20' ' ' VAL . 40.0 t -99.64 106.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 81.5 mm-40 -68.22 -51.51 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -142.28 166.49 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG23 ' CG1' ' A' ' 17' ' ' VAL . 24.4 t -141.41 126.61 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -101.81 -162.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.28 -55.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -115.63 12.88 16.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.7 p -146.5 158.28 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' THR . 1.2 m -144.52 157.53 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -112.09 145.47 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -134.18 155.22 50.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 12.9 tttt -151.3 120.1 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.739 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.4 p90 -124.76 -176.42 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.451 HH21 ' CD2' ' A' ' 14' ' ' HIS . 10.5 mtm180 -124.59 155.05 69.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.01 42.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.01 173.96 13.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.49 -28.76 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -100.84 60.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.819 ' O ' HG22 ' A' ' 9' ' ' THR . 23.3 mm -49.11 -66.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.34 -134.96 12.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.85 144.3 38.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.12 -59.5 4.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.61 163.94 12.47 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 tt -72.27 143.19 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -37.83 22.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.55 -147.72 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 24.1 m-85 -146.54 142.83 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.5 mt -103.39 119.29 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 83' ' ' VAL . 23.3 t -96.66 135.69 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -148.48 142.65 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 30.1 p90 -123.95 147.19 47.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.9 t -123.25 116.69 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 HG12 ' A' ' 79' ' ' ILE . 1.6 mt -64.43 138.6 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.67 126.89 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.6 23.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -84.23 149.34 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -110.7 12.26 22.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.56 121.35 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.8 m95 -82.79 116.73 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.017 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 57' ' ' PRO . 59.6 t -84.29 141.42 39.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 122.28 7.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.68 -44.23 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 p-10 -121.05 132.5 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.26 -48.47 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.51 157.64 37.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 133.04 16.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.742 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.6 m -81.55 157.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -91.41 -35.36 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.87 168.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.9 p -94.64 54.26 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' HG21 ' A' ' 63' ' ' VAL . . . 170.92 -179.31 42.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.742 ' CD1' HG11 ' A' ' 63' ' ' VAL . 84.6 t80 -172.34 168.84 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.0 m -126.91 121.45 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.7 t -87.67 154.25 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -138.02 169.38 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.642 ' O ' HD23 ' A' ' 73' ' ' LEU . 8.0 t70 60.24 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 72' ' ' ASP . 25.0 mt -140.12 143.14 32.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.65 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.1 m -62.62 117.79 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' HG23 ' A' ' 102' ' ' THR . . . 91.36 38.97 5.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.39 134.78 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -80.48 99.49 8.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 74' ' ' PRO . 48.8 mt -114.69 138.81 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 100' ' ' PRO . 29.7 mt -102.55 131.36 49.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.425 ' HB2' HD12 ' A' ' 97' ' ' LEU . 29.3 m-85 -104.44 142.12 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -140.15 139.21 35.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.739 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -118.8 129.14 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -124.9 129.19 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.27 119.19 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.82 160.56 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.72 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 4.4 p30 -173.12 177.83 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -49.58 -29.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.72 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -78.88 -37.06 41.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 132.42 -160.21 23.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.14 160.56 26.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.1 p -120.75 -177.46 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.31 133.24 24.76 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 125.77 9.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.522 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -83.31 52.07 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 m -40.48 149.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 97' ' ' LEU . 13.2 mt -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.46 -32.74 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -135.97 149.84 69.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.447 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.0 t -120.34 133.07 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.409 HG23 ' HA2' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.36 -20.57 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.421 ' H ' HG12 ' A' ' 101' ' ' VAL . 21.4 mm 65.03 98.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -175.06 147.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.249 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 159.93 14.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.46 131.96 54.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.82 90.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.99 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 m 50.64 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -71.96 -58.24 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 119.05 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 p -56.44 167.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.29 136.63 13.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.56 147.15 42.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -167.22 87.39 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.75 179.33 44.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.82 29.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -47.65 173.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -75.82 139.71 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -47.16 159.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.98 166.74 28.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.05 168.07 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.444 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 27.9 m-70 65.4 31.12 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.7 tp -88.44 109.09 19.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.43 168.61 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG11 ' CG2' ' A' ' 20' ' ' VAL . 77.6 t -91.93 115.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -82.65 -44.52 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -148.53 161.82 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 ' H ' ' A' ' 104' ' ' ARG . 95.9 t -139.24 144.28 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -158.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 -33.78 15.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 p -136.5 16.07 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.0 p -145.59 165.78 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -153.96 150.31 28.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.6 m -106.75 150.98 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -140.27 149.07 42.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.62 118.04 8.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 6.2 p90 -125.56 173.8 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.035 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 2.0 mmp_? -116.82 156.16 48.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.2 Cg_endo -75.03 156.37 42.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.568 1.825 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.98 173.0 15.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.08 -32.71 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 77.84 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.16 -63.21 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.3 -143.56 21.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.91 169.28 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.95 -66.61 3.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.67 152.33 29.24 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.69 133.57 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.94 -41.51 82.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.15 -145.25 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 29.3 m-85 -144.2 139.93 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.8 mt -101.22 116.28 32.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 83' ' ' VAL . 12.5 t -97.11 146.04 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -161.55 140.92 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 36.5 p90 -118.13 144.32 45.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 9.3 t -123.33 127.15 48.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -73.22 137.81 45.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.36 126.3 11.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.04 11.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -81.15 142.11 33.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -105.94 14.31 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 115.09 24.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 42.9 m95 -83.44 115.55 22.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.3 t -81.99 141.56 47.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.93 122.62 7.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -79.33 -44.02 22.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 15.0 p-10 -121.13 112.15 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -50.74 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.34 158.18 33.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.01 132.21 15.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.629 HG11 ' HD1' ' A' ' 68' ' ' PHE . 16.1 m -73.84 -178.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -112.54 -45.5 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -77.29 164.92 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 6.3 m -89.83 62.61 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.94 147.41 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.629 ' HD1' HG11 ' A' ' 63' ' ' VAL . 72.3 t80 -156.39 170.69 21.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.491 ' N ' ' CD2' ' A' ' 68' ' ' PHE . 2.0 m -132.07 125.2 30.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.534 HG22 ' HB1' ' A' ' 58' ' ' ALA . 46.3 t -94.09 154.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.48 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.3 OUTLIER -138.69 170.5 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.2 t0 62.01 79.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 72' ' ' ASP . 10.2 mt -142.28 145.36 34.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.764 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -74.96 119.42 5.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 m -60.14 122.41 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.54 48.42 6.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.65 129.54 35.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 96.12 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.764 HD11 ' HD2' ' A' ' 74' ' ' PRO . 72.7 mt -110.86 138.42 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 100' ' ' PRO . 20.7 mt -104.53 132.39 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.599 ' HB2' HD12 ' A' ' 97' ' ' LEU . 58.6 m-85 -109.9 129.7 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.486 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.0 ptt85 -130.8 135.59 47.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 45' ' ' VAL . 2.3 t -112.74 141.36 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -135.52 131.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.16 108.92 2.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 62' ' ' PRO . 11.7 m -83.37 153.36 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' GLY . 2.2 p30 -170.19 172.46 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -48.99 -33.59 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.63 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 137.91 -106.55 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.32 169.14 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -124.7 -176.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 3.7 tt0 -59.62 133.51 88.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.03 122.51 7.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -79.45 58.01 2.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -45.6 143.0 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.7 mt -66.52 148.3 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.47 -20.14 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -150.01 151.6 32.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.96 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 103' ' ' ILE . 42.3 t -121.16 134.99 62.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -19.49 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.472 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.3 mm 63.78 100.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.509 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -177.7 148.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.68 165.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 p -155.26 120.54 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.82 -137.64 7.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.4 t -150.36 116.17 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.0 p -129.56 -57.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -164.72 107.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.18 160.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.06 -136.28 6.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.94 -62.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.95 144.89 26.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.35 -177.87 15.98 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' N ' ' CB ' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.96 137.78 22.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 35' ' ' ILE . 57.5 p -51.75 167.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.83 143.07 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -56.24 162.09 3.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -74.96 162.67 36.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.82 167.98 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.54 35.88 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 95' ' ' ALA . 36.5 tp -88.03 111.36 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -141.88 171.46 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.438 HG11 ' CG2' ' A' ' 20' ' ' VAL . 60.7 t -95.04 115.98 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -82.54 -46.57 13.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.55 157.23 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG22 HG23 ' A' ' 25' ' ' THR . 68.5 t -137.1 146.9 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.427 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -118.29 -160.47 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.26 -41.92 17.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -129.2 3.89 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.428 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.427 ' OG1' ' CB ' ' A' ' 21' ' ' THR . 1.9 p -129.35 172.11 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 20' ' ' VAL . 3.6 m -161.9 159.38 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -118.25 146.04 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -134.94 152.0 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -144.46 123.24 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 83' ' ' VAL . 4.7 p90 -129.99 -178.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.58 41.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.06 176.52 9.82 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -105.65 -26.88 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.36 71.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.889 ' O ' HG22 ' A' ' 9' ' ' THR . 40.2 mm -60.16 -59.91 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.92 -114.67 3.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.63 150.75 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.01 -59.98 4.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.55 178.9 15.54 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.5 tt -96.14 143.1 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -76.07 -43.34 44.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.03 -142.01 7.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 88.2 m-85 -148.03 145.86 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD12 ' CG1' ' A' ' 86' ' ' VAL . 13.4 mt -107.61 115.21 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 83' ' ' VAL . 2.3 t -96.46 133.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -144.32 144.66 31.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 33.4 p90 -123.91 144.7 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 40.4 t -123.36 123.05 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 108.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -70.68 138.64 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.48 133.38 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.77 -31.92 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 44.2 t -80.85 150.78 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.8 11.55 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 117.03 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.9 m95 -84.92 113.35 21.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 57' ' ' PRO . 87.2 t -84.43 141.8 39.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -72.35 -44.18 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 5.1 p-10 -120.13 114.01 21.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -48.31 -38.96 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.53 156.28 46.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.496 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.02 126.84 10.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.681 HG11 ' CD1' ' A' ' 68' ' ' PHE . 15.7 m -72.67 167.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.5 -34.48 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.91 170.68 10.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.407 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 31.8 p -93.74 58.8 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.5 176.87 35.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.681 ' CD1' HG11 ' A' ' 63' ' ' VAL . 71.8 t80 -164.3 174.07 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.3 m -132.46 115.27 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -83.56 154.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -136.26 172.24 13.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.8 OUTLIER 50.06 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 72' ' ' ASP . 19.8 mt -146.09 148.27 34.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.692 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.02 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.7 m -63.55 121.46 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.42 47.17 6.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.33 130.01 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -75.7 96.12 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.692 HD11 ' HD2' ' A' ' 74' ' ' PRO . 80.4 mt -108.48 133.28 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 mt -97.37 129.31 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HB2' HD12 ' A' ' 97' ' ' LEU . 23.5 m-85 -104.39 146.87 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -144.41 142.66 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.777 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 t -122.85 128.44 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 44' ' ' LEU . 1.6 m -124.89 134.15 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.32 119.86 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.534 ' CG1' HD12 ' A' ' 44' ' ' LEU . 4.6 m -90.86 160.53 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.68 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 5.4 p30 178.62 172.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.31 -27.32 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.68 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -72.92 -25.89 61.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 126.86 -109.47 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.52 164.72 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 p -120.16 170.06 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -48.09 136.1 11.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 126.6 10.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.689 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.54 54.01 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -41.38 144.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 81' ' ' PHE . 15.6 mt -71.91 145.97 48.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.21 -16.68 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.77 150.07 32.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.64 4.32 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' HD13 ' A' ' 103' ' ' ILE . 43.9 t -126.32 133.04 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.91 -25.07 43.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.503 HD13 ' CG1' ' A' ' 101' ' ' VAL . 33.7 mm 67.41 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.534 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -178.35 151.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.232 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.04 170.25 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.18 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -127.67 171.38 19.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.24 108.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.04 149.77 23.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.48 99.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.978 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.55 -58.48 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.23 91.5 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -101.23 -60.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -145.22 128.74 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.52 -174.93 27.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.74 41.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 35' ' ' ILE . 34.2 p -58.19 169.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.7 142.86 48.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -53.12 152.25 8.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 142.79 28.26 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.72 167.73 19.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 34.5 m80 72.81 21.96 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.612 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.5 tp -83.35 108.75 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -136.76 173.33 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -94.97 108.93 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -75.46 -51.78 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -144.3 158.52 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 104' ' ' ARG . 84.1 t -135.99 124.98 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 -162.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -56.08 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -116.67 14.46 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.2 p -145.28 155.91 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 20' ' ' VAL . 71.8 m -142.62 159.12 42.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -114.42 150.47 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 mt -142.29 141.51 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -139.9 119.01 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.5 p90 -123.83 174.77 7.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HG3' ' CG ' ' A' ' 14' ' ' HIS . 3.1 mmt180 -118.67 157.35 50.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.33 43.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.572 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 174.75 12.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -104.36 -28.23 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.85 72.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 9' ' ' THR . 44.7 mm -59.91 -66.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.88 -125.72 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.79 144.34 44.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.22 -63.46 4.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 179.1 15.78 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.4 tt -90.31 144.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -38.44 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.9 10.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 20.0 m-85 -149.53 144.04 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.9 mt -103.61 122.77 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 83' ' ' VAL . 6.3 t -104.57 123.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 5.3 mt-10 -133.87 133.21 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 42.4 p90 -114.37 146.76 40.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.5 t -123.24 119.32 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.67 138.55 56.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -49.47 129.72 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.83 -30.01 9.05 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 34.3 t -81.1 154.34 26.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -117.29 11.44 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.33 117.2 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.543 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -81.76 119.25 23.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG13 ' HD2' ' A' ' 57' ' ' PRO . 57.6 t -88.49 141.48 30.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.556 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 115.28 4.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.56 75.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 13.2 p-10 -120.81 119.33 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -39.32 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 5.7 pt-20 -114.85 151.28 45.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.68 8.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.627 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.6 m -63.01 175.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.17 -39.69 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.55 172.31 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 3.9 m -94.81 57.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.6 151.12 9.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.627 ' CD1' HG11 ' A' ' 63' ' ' VAL . 84.5 t80 -157.56 169.89 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.0 m -128.56 123.22 32.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' THR . 23.6 t -90.84 153.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.48 174.82 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.53 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER 55.87 82.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 72' ' ' ASP . 6.6 mt -143.81 144.65 27.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.813 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.04 119.88 5.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.8 m -60.9 123.45 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.57 41.09 9.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.28 130.69 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.67 97.56 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.813 HD11 ' HD2' ' A' ' 74' ' ' PRO . 79.1 mt -107.07 135.06 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.1 mt -97.81 125.62 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.7 m-85 -102.06 138.5 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.543 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -137.5 146.78 44.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 45' ' ' VAL . 2.4 t -126.09 135.17 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.34 127.31 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.32 113.39 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.94 160.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 4.8 p-10 171.9 179.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.5 -41.05 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -61.31 -16.85 49.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.28 -109.47 2.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 163.18 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 p -119.42 172.21 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.0 mp0 -51.29 135.96 31.0 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 126.15 9.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.486 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.51 58.42 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -42.65 141.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 81' ' ' PHE . 8.2 mt -68.27 146.22 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.59 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.46 158.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 174.82 12.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 103' ' ' ILE . 45.7 t -119.95 132.47 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -18.89 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.51 ' H ' HG12 ' A' ' 101' ' ' VAL . 24.4 mm 62.36 100.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.574 ' H ' HG12 ' A' ' 20' ' ' VAL . 3.2 mtp180 -177.25 147.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.17 138.43 35.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.58 141.1 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.19 150.99 16.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.58 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.4 t -90.96 130.42 36.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.6 p -117.72 148.8 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -156.15 131.59 9.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -58.59 3.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.56 153.51 21.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -50.1 138.54 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m 61.03 144.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.43 -98.1 2.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.46 24.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 35' ' ' ILE . 5.2 p -49.55 154.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.74 137.35 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.16 156.55 1.81 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.95 152.13 40.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -142.42 157.4 44.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 m80 76.33 32.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.603 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 16.1 tp -88.78 111.4 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -137.9 170.37 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.518 HG11 ' CG2' ' A' ' 20' ' ' VAL . 52.0 t -94.24 110.52 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -74.61 -44.74 49.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.85 159.42 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 104' ' ' ARG . 55.7 t -137.02 131.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.23 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.24 -44.15 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -126.49 13.03 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.9 p -144.19 162.17 37.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.549 ' OG1' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -150.76 157.45 42.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 m -112.61 151.4 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 mt -142.41 139.56 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -135.59 116.81 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.707 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.9 p90 -122.78 175.3 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 107.992 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -118.47 159.02 45.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.5 42.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.548 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 176.14 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.58 -31.83 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.51 71.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.737 ' O ' HG22 ' A' ' 9' ' ' THR . 36.0 mm -53.65 -55.22 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 -167.63 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 48.45 -163.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.56 39.02 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 165.33 40.79 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.8 tt -88.7 136.01 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -32.06 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.16 -156.99 27.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 19.0 m-85 -135.31 140.08 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.8 mt -100.75 123.82 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.734 HG22 HG22 ' A' ' 83' ' ' VAL . 28.4 t -100.35 130.97 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 11.0 mt-10 -143.07 140.79 31.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.6 p90 -122.53 147.44 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.3 t -123.37 115.99 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 HG12 ' A' ' 79' ' ' ILE . 2.2 mt -64.47 138.28 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.98 136.65 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.49 4.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 32.7 t -81.1 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.31 -1.27 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -95.26 133.08 39.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.508 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 77.5 m95 -100.07 113.2 25.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG13 ' HD2' ' A' ' 57' ' ' PRO . 62.0 t -85.61 141.39 36.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.549 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -74.64 -45.0 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.6 p-10 -120.51 123.46 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -53.35 -43.78 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.95 153.89 45.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.642 ' CB ' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.04 123.8 8.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.534 HG11 ' HD1' ' A' ' 68' ' ' PHE . 30.7 m -63.42 175.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -108.45 -37.7 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -85.23 165.3 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.536 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 15.8 m -90.42 69.14 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.21 148.66 6.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.534 ' HD1' HG11 ' A' ' 63' ' ' VAL . 74.7 t80 -160.52 164.07 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.1 m -125.83 120.38 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' THR . 13.6 t -86.15 154.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -137.78 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 73' ' ' LEU . 2.2 t70 54.35 81.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 72' ' ' ASP . 10.2 mt -143.97 146.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.731 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.05 120.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.9 m -64.25 118.67 8.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.63 40.61 6.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.7 129.09 47.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 86.6 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.731 HD11 ' HD2' ' A' ' 74' ' ' PRO . 59.8 mt -100.94 134.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 mt -99.76 125.42 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.572 ' HB2' HD12 ' A' ' 97' ' ' LEU . 38.6 m-85 -102.18 135.69 43.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.13 137.03 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.734 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -113.85 128.82 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 m -122.46 133.17 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -79.18 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.642 HG21 ' CB ' ' A' ' 62' ' ' PRO . 3.6 m -93.66 158.3 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.631 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 6.6 p30 -178.05 175.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -56.5 -25.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.631 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -75.24 -25.14 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.23 -109.03 1.08 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.22 168.72 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -125.76 173.34 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.13 135.63 15.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.69 15.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.428 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -87.79 50.92 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 m -38.68 143.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 81' ' ' PHE . 16.2 mt -67.69 145.26 54.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.06 -25.64 67.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -143.3 152.66 58.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.02 25.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.406 ' CG1' HD13 ' A' ' 103' ' ' ILE . 53.7 t -115.41 135.91 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.5 -24.76 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.442 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 38.2 mm 66.23 94.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.596 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 175.1 136.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.435 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -77.18 118.55 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -105.96 81.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -152.51 98.69 0.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 125.62 9.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.9 m -76.96 -60.57 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 142.81 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -73.94 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -71.46 144.69 49.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.1 -151.91 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -141.71 87.92 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.93 121.54 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.63 164.2 12.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 35' ' ' ILE . 13.7 p -67.23 166.25 14.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -67.81 138.76 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -52.1 157.34 2.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 159.39 41.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.24 168.42 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.464 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 40.6 m-70 65.5 31.91 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 95' ' ' ALA . 22.3 tp -89.55 105.34 17.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -133.79 172.99 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 20' ' ' VAL . 79.2 t -96.89 117.03 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.67 -45.83 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.09 160.0 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 104' ' ' ARG . 59.4 t -138.11 128.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -159.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.35 -53.88 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -119.76 15.18 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -143.4 155.11 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.502 ' OG1' HG13 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -141.27 158.33 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.5 m -115.26 146.37 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 mt -134.84 156.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -153.49 114.8 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.634 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.9 p90 -120.94 -169.31 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 11.4 mtm180 -135.65 156.83 77.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.08 43.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.589 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.97 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.66 -28.21 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.68 75.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.787 ' O ' HG22 ' A' ' 9' ' ' THR . 23.4 mm -65.33 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 -126.52 6.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.78 147.44 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.41 -65.21 2.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.04 -159.57 25.58 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 tt -115.9 131.07 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.01 -32.46 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.89 -152.38 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 12.3 m-85 -135.76 141.55 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 44' ' ' LEU . 5.9 mt -97.71 133.87 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 83' ' ' VAL . 13.7 t -113.66 145.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -162.16 150.52 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 24.4 p90 -127.39 145.86 50.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 7.7 t -123.19 107.03 11.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.2 137.7 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.22 122.41 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.62 -26.61 22.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -81.24 151.72 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -113.93 5.94 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.6 117.12 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 68.6 m95 -79.34 117.26 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.588 HG13 ' HD2' ' A' ' 57' ' ' PRO . 95.0 t -85.16 141.73 37.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.01 126.88 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.35 -44.45 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 8.2 p-10 -121.18 110.86 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -46.1 -32.28 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.47 149.13 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.783 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.98 129.56 12.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.686 HG11 ' HD1' ' A' ' 68' ' ' PHE . 7.4 m -75.02 163.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.42 -33.75 10.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.33 -178.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 p -106.13 53.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.16 174.0 38.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.686 ' HD1' HG11 ' A' ' 63' ' ' VAL . 90.4 t80 -167.82 171.38 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.88 118.64 22.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' THR . 38.1 t -87.58 154.51 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 171.39 14.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.511 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.9 OUTLIER 60.57 77.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.5 mt -143.4 144.77 29.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.758 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.0 120.3 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 m -62.71 120.16 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.47 40.03 7.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.98 131.27 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -77.17 98.47 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.758 HD11 ' HD2' ' A' ' 74' ' ' PRO . 71.4 mt -111.59 140.87 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.12 134.94 45.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HB2' HD12 ' A' ' 97' ' ' LEU . 30.4 m-85 -115.17 134.22 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 45.9 ptt85 -134.76 138.96 44.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.634 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.4 t -113.49 139.64 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 92' ' ' SER . 1.1 m -138.22 129.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.68 127.56 9.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.783 HG21 ' HG3' ' A' ' 62' ' ' PRO . 14.5 m -97.11 155.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.7 p-10 175.44 174.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -48.5 -43.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . . . -58.8 -31.18 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 124.69 -121.39 4.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 158.39 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 84' ' ' VAL . 87.9 p -113.77 169.38 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 15.1 mt-10 -47.27 133.25 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.08 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.586 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -79.31 57.08 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -38.08 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.2 mt -81.71 141.38 33.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.79 -37.51 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -143.46 158.44 57.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.74 17.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 103' ' ' ILE . 31.1 t -115.89 135.8 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -22.47 51.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.435 ' H ' HG12 ' A' ' 101' ' ' VAL . 31.8 mm 66.06 95.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.612 ' H ' HG12 ' A' ' 20' ' ' VAL . 9.2 ttt180 -179.89 138.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.22 152.56 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.5 173.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.68 98.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 101.74 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 113.8 27.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.5 t -142.24 -58.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -83.41 140.57 32.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -172.53 150.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.85 -142.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.61 75.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.982 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t 57.74 104.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.91 176.26 24.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 150.47 38.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 35' ' ' ILE . 74.9 p -55.15 161.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.99 134.14 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -50.29 163.42 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.99 163.44 35.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -153.82 165.66 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 62.2 m-70 65.52 29.86 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.631 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 95' ' ' ALA . 24.9 tp -86.56 106.17 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -135.72 174.44 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 20' ' ' VAL . 78.7 t -97.97 113.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -78.41 -47.64 17.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -143.26 169.4 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG23 ' CG1' ' A' ' 17' ' ' VAL . 15.7 t -149.86 123.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -157.94 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 -32.19 14.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 24' ' ' THR . 2.3 p -138.33 21.18 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' THR . 1.2 p -154.07 143.96 21.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 81' ' ' PHE . 3.2 m -131.73 149.88 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -111.83 139.56 47.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' HD11 ' A' ' 97' ' ' LEU . 10.1 mt -131.28 151.14 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.9 119.97 9.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.578 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 11.8 p90 -126.39 173.88 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.054 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 1.7 mmp_? -115.84 155.46 47.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.21 42.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.678 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.6 -29.39 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 81.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.808 ' O ' HG22 ' A' ' 9' ' ' THR . 22.8 mm -70.23 -72.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.31 152.52 12.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.05 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.2 -46.27 8.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 144.97 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.6 tt -86.13 143.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 -27.88 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.38 -157.18 28.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD1' ' CA ' ' A' ' 85' ' ' GLY . 6.7 m-85 -138.84 143.0 38.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.6 mt -96.46 148.87 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.759 HG22 HG22 ' A' ' 83' ' ' VAL . 21.5 t -127.17 134.34 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -150.76 142.1 23.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.7 p90 -118.68 145.17 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 6.9 t -123.05 117.11 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 79' ' ' ILE . 1.5 mt -64.72 137.55 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.64 118.37 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.01 -25.2 23.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -80.97 155.15 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.58 11.96 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.14 123.66 41.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 89.4 m95 -87.12 120.19 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' HD2' ' A' ' 57' ' ' PRO . 96.7 t -84.65 141.88 39.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.8 p-10 -121.24 111.94 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -47.26 -32.79 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -126.14 156.95 71.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.97 146.14 32.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.5 m -93.82 154.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.9 pt-20 -85.73 -34.71 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 2.9 ptt180 -75.23 169.65 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 3.6 m -97.32 62.8 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 108.316 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.89 169.04 33.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 77.5 t80 -170.95 173.67 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.431 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -125.0 121.48 34.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.503 HG12 HD11 ' A' ' 73' ' ' LEU . 52.5 t -95.48 115.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -104.57 173.41 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.641 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.3 OUTLIER 62.38 78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.0 mt -146.69 145.47 23.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.598 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.05 126.01 9.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.4 m -67.1 124.07 22.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.41 44.73 7.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' THR . . . -133.19 130.16 38.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 99.49 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.598 HD11 ' HD2' ' A' ' 74' ' ' PRO . 54.0 mt -117.93 142.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 100' ' ' PRO . 32.3 mt -100.79 151.03 22.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 97' ' ' LEU . 24.7 m-85 -129.05 127.9 42.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -130.51 141.05 50.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.759 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -115.5 129.09 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.761 HG12 ' O ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.17 126.68 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 43' ' ' TYR . . . -76.52 123.59 6.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.564 HG21 ' HG3' ' A' ' 62' ' ' PRO . 16.5 m -96.89 160.56 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.732 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 3.5 p-10 172.9 -177.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.06 -43.47 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.732 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -63.3 -22.23 66.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 113.44 -141.46 16.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -96.17 164.72 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.761 ' O ' HG12 ' A' ' 84' ' ' VAL . 4.7 p -122.76 170.88 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.65 134.97 19.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.0 Cg_endo -75.03 121.99 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.608 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.22 53.62 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -38.55 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.6 mt -75.17 141.08 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.65 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -148.97 150.49 32.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.592 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.5 t -125.73 134.55 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -78.31 -21.94 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.436 HD11 ' HZ ' ' A' ' 81' ' ' PHE . 20.9 mm 64.55 97.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 179.67 139.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -83.51 152.3 24.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 p -171.46 167.73 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.65 -164.14 11.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.6 p -49.8 -59.38 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.92 81.77 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 t -74.08 134.28 42.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 110.032 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -87.21 80.73 8.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.41 -177.77 47.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.57 120.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.949 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p 174.15 143.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.73 144.94 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.97 142.84 28.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 35' ' ' ILE . 29.5 p -53.65 179.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.58 128.08 34.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -45.85 162.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 163.23 35.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.92 166.22 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 65.64 35.19 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 95' ' ' ALA . 26.4 tp -88.33 108.19 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.44 169.62 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.578 HG11 ' CG2' ' A' ' 20' ' ' VAL . 75.8 t -92.34 121.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.14 -41.73 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -153.31 151.16 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 104' ' ' ARG . 94.3 t -130.73 124.34 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -159.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 103' ' ' ILE . 1.7 m-20 -79.97 -61.0 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -116.4 19.52 14.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.3 p -147.21 152.19 37.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 26' ' ' THR . 1.2 m -140.96 164.34 30.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 25' ' ' THR . 30.7 m -119.67 152.13 37.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.7 mt -140.87 151.47 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.56 121.68 10.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.678 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -127.58 -172.6 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 107.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.87 152.24 78.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.68 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.725 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.99 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -28.12 11.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 76.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 9' ' ' THR . 21.3 mm -68.3 -80.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.94 -155.45 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 51.26 29.82 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.1 -39.63 3.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.54 -155.87 26.68 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 tt -135.24 142.09 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -38.75 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 -132.85 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.8 m-85 -149.33 141.61 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.8 mt -105.48 117.06 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.87 HG22 HG22 ' A' ' 83' ' ' VAL . 16.3 t -98.1 136.35 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 15.2 mt-10 -150.19 136.84 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 38.5 p90 -114.99 146.02 41.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.4 t -123.13 111.15 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -56.03 137.37 51.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 118.78 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.73 -24.66 21.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -83.0 154.56 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -114.1 12.91 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.66 126.28 45.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.58 ' CE3' ' CD ' ' A' ' 82' ' ' ARG . 80.0 m95 -87.26 119.99 28.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.606 HG13 ' HD2' ' A' ' 57' ' ' PRO . 88.1 t -84.83 142.02 38.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.606 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.09 118.61 5.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.15 -42.35 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.0 p-10 -121.0 114.29 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -31.92 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -125.62 157.03 69.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.03 136.71 20.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.9 m -81.98 173.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 7.1 pt-20 -107.48 -33.79 7.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 14.8 ptp180 -70.12 -178.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.7 p -104.47 56.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.02 -176.24 43.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CD1' HG11 ' A' ' 63' ' ' VAL . 79.6 t80 -174.61 166.46 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -128.88 123.41 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' THR . 11.5 t -90.79 154.85 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.21 169.22 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.23 76.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.37 147.09 56.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.96 119.58 5.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -62.59 118.22 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.35 5.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.03 135.16 43.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 99.37 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' A' ' 74' ' ' PRO . 30.2 mt -117.68 145.45 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 100' ' ' PRO . 22.9 mt -107.07 145.51 32.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.675 ' HB2' HD12 ' A' ' 97' ' ' LEU . 34.4 m-85 -119.77 128.0 53.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.58 ' CD ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -124.76 144.81 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.87 HG22 HG22 ' A' ' 45' ' ' VAL . 2.4 t -123.11 130.73 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.1 130.29 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 120.69 5.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 62' ' ' PRO . 4.1 m -95.22 156.58 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 177.15 -175.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 89' ' ' ALA . 1.3 tt -49.35 -47.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 88' ' ' ILE . . . -50.75 -47.11 59.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.49 -101.01 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.73 150.57 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 p -108.24 175.07 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.78 136.86 78.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.24 8.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.65 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.68 58.17 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -41.03 139.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 81' ' ' PHE . 10.8 mt -62.98 157.93 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.99 -36.85 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 14.5 pt20 -141.82 158.79 61.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.97 173.13 15.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 103' ' ' ILE . 35.1 t -120.27 135.13 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -19.96 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 22' ' ' ASP . 26.3 mm 65.76 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.589 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -174.82 147.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 136.07 38.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.59 94.85 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -97.77 138.87 14.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.69 35.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t 52.78 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.68 107.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -109.6 83.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -46.63 154.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 -145.68 15.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.01 138.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -92.77 -67.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.95 -172.55 15.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.128 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.08 25.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.415 ' H ' HG23 ' A' ' 9' ' ' THR . 60.6 p -43.97 163.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 p -63.92 133.26 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -45.73 165.12 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.98 165.4 31.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.68 170.72 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 64.7 m-70 62.63 30.13 16.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.62 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 8.7 tp -89.05 111.77 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -142.93 170.94 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -90.18 116.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -82.56 -48.84 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -145.82 161.27 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 104' ' ' ARG . 82.2 t -142.93 142.04 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -157.88 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.97 -38.86 16.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -134.83 23.51 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 2.4 p -151.21 155.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.47 HG23 HG22 ' A' ' 20' ' ' VAL . 3.9 m -145.05 160.63 41.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.0 m -121.86 143.55 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -133.64 142.21 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -138.75 117.09 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.627 ' CE3' HG21 ' A' ' 83' ' ' VAL . 10.7 p90 -119.69 179.37 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 3.9 mmt180 -120.79 154.01 57.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.35 42.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.43 -32.56 6.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.3 75.49 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.38 -78.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.79 -127.1 5.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.46 -51.94 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.41 -46.24 4.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.79 164.0 38.55 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.7 tt -95.76 135.78 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -48.3 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.14 -138.73 4.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -150.03 141.01 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.9 mt -100.36 127.54 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 83' ' ' VAL . 3.7 t -107.81 133.37 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 22.4 mt-10 -144.84 134.17 23.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.5 p90 -115.76 146.26 42.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.7 t -123.41 119.96 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 79' ' ' ILE . 2.2 mt -67.47 137.32 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 123.5 6.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.76 -28.69 14.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -80.83 152.85 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.44 11.67 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -117.73 104.33 10.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.4 m95 -67.1 121.7 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.548 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.3 t -89.05 141.41 29.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 114.97 4.15 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.09 -43.66 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 26.0 p-10 -121.16 111.15 17.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.32 -31.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 2.0 mm-40 -128.73 157.05 76.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.02 130.01 12.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.668 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.0 m -67.04 175.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.49 -40.06 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.78 178.17 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 25.1 p -99.77 44.17 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.07 8.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.668 ' CD1' HG11 ' A' ' 63' ' ' VAL . 63.7 t80 -148.55 173.3 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.67 124.18 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG12 HD21 ' A' ' 73' ' ' LEU . 22.6 t -98.73 121.68 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -112.93 178.36 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.88 76.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD21 HG12 ' A' ' 70' ' ' VAL . 6.3 mt -139.5 145.54 44.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.733 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.01 119.51 5.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -59.46 115.89 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 50.84 3.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.43 131.05 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.54 87.19 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.733 HD11 ' HD2' ' A' ' 74' ' ' PRO . 33.9 mt -100.61 139.82 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.3 mt -102.68 126.29 49.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.72 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.0 m-85 -101.95 141.15 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -140.08 147.45 40.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.627 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -126.23 136.14 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.85 127.95 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.14 110.65 3.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.679 HG21 ' HG3' ' A' ' 62' ' ' PRO . 30.8 m -82.99 160.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 7.5 p-10 179.39 173.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -47.04 -44.09 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.69 -39.43 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' VAL . . . 139.47 -107.49 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.8 165.72 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.356 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 p -121.1 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 17.0 mp0 -50.81 132.85 28.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.55 59.52 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 144.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 81' ' ' PHE . 9.3 mt -68.83 149.06 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -34.77 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.17 158.45 48.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 103' ' ' ILE . 23.6 t -113.2 139.3 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -23.24 37.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.428 HD13 ' CG1' ' A' ' 101' ' ' VAL . 30.1 mm 67.44 99.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.518 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER 176.74 150.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.18 145.41 26.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -129.9 119.32 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.02 169.38 21.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.95 33.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.58 -57.16 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 t -117.98 -58.13 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.63 92.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.776 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.27 -70.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.92 164.59 34.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -120.55 -58.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.043 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 m -117.93 -57.45 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.54 165.98 21.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.16 36.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 35' ' ' ILE . 33.1 p -52.78 170.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 133.16 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -46.51 159.59 0.35 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.58 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.99 159.36 41.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.95 168.37 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 65.54 33.21 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.3 tp -91.15 115.4 27.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -145.55 172.36 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 20' ' ' VAL . 65.5 t -94.76 113.68 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -149.96 154.47 38.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 104' ' ' ARG . 80.5 t -132.31 135.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -157.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.78 -35.41 13.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -132.96 10.43 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.664 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.9 p -142.27 162.49 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.7 m -148.53 150.93 34.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -108.39 149.62 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.38 150.86 45.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.19 114.83 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.635 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.2 p90 -122.75 -179.68 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.88 154.84 80.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.57 41.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.601 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.07 175.4 11.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -103.8 -32.23 9.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.51 71.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.699 ' O ' HG22 ' A' ' 9' ' ' THR . 44.3 mm -58.98 -57.09 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.81 -110.48 2.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.04 147.36 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 -58.24 4.4 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.39 -179.39 16.31 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 tt -101.08 144.33 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -46.2 46.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.64 -143.25 7.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -141.59 143.48 33.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.9 mt -104.26 114.79 29.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 83' ' ' VAL . 34.1 t -95.21 128.38 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 9.8 mt-10 -138.85 140.63 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.7 p90 -124.81 146.83 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.4 t -123.07 117.94 26.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.06 135.35 52.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.89 -29.96 10.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.098 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -80.78 150.59 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 14.23 16.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.71 116.47 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.494 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 65.4 m95 -78.15 117.93 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 66.2 t -87.87 141.45 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 117.0 4.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.61 -44.87 66.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 p-10 -121.11 114.81 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -48.37 -45.41 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.04 155.2 43.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.43 17.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 68' ' ' PHE . 17.6 m -76.7 179.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -109.76 -43.11 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.52 154.72 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 35.3 m -81.49 55.54 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.11 145.16 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.549 ' CD1' HG11 ' A' ' 63' ' ' VAL . 67.5 t80 -154.45 168.15 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.0 m -133.69 114.72 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' THR . 15.0 t -83.26 153.45 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -134.99 172.27 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.577 ' O ' HD23 ' A' ' 73' ' ' LEU . 33.8 t0 58.14 83.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 72' ' ' ASP . 20.0 mt -144.65 145.37 28.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.766 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -74.99 119.46 5.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -61.96 120.01 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.43 6.31 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.94 127.76 42.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 0.819 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.79 84.58 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.766 HD11 ' HD2' ' A' ' 74' ' ' PRO . 73.1 mt -95.91 133.84 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.38 123.66 44.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.689 ' HB2' HD12 ' A' ' 97' ' ' LEU . 51.6 m-85 -102.06 135.71 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 47.0 ptt85 -136.05 134.95 38.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -111.18 138.49 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 92' ' ' SER . 1.6 m -137.2 136.82 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.22 122.73 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG11 HD12 ' A' ' 44' ' ' LEU . 12.3 m -97.1 157.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.573 HD21 ' HB3' ' A' ' 89' ' ' ALA . 25.1 p-10 177.14 -173.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 tt -57.35 -42.82 81.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.573 ' HB3' HD21 ' A' ' 87' ' ' ASN . . . -56.06 -43.25 77.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.95 -105.1 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 160.44 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 84' ' ' VAL . 86.7 p -117.39 167.64 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.4 mm-40 -47.67 133.53 10.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.32 55.29 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -38.55 141.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' A' ' 81' ' ' PHE . 11.0 mt -65.0 143.99 57.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.92 -31.55 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -148.77 158.69 39.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.55 14.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 103' ' ' ILE . 38.7 t -120.46 134.85 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -22.07 55.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 101' ' ' VAL . 30.5 mm 66.55 94.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.482 ' H ' HG12 ' A' ' 20' ' ' VAL . 14.8 ttt180 -177.47 140.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -81.07 147.84 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 63.53 124.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.86 82.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 163.72 34.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.31 106.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 p -124.09 144.18 50.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.47 89.8 3.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.962 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.47 101.69 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.27 -176.28 18.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -69.74 131.26 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.89 152.49 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.84 177.08 29.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.14 31.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.967 HG22 ' O ' ' A' ' 35' ' ' ILE . 77.7 p -51.59 166.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.39 143.11 57.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -58.95 162.52 6.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 158.32 42.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.808 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.64 166.36 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 65.02 36.49 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 29' ' ' TRP . 18.1 tp -91.86 114.7 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.6 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG11 ' CG2' ' A' ' 20' ' ' VAL . 53.3 t -95.2 112.19 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.06 -51.08 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.64 160.31 40.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 104' ' ' ARG . 84.4 t -141.88 131.46 23.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -157.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -89.77 -36.11 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -131.79 8.94 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.0 p -141.69 161.3 38.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.446 ' OG1' HG13 ' A' ' 20' ' ' VAL . 1.2 m -148.53 146.64 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.3 m -101.86 146.94 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -134.67 155.02 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.34 120.32 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.798 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.5 p90 -128.41 178.69 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -122.66 153.76 63.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 159.63 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.61 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 175.27 11.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.579 1.831 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.99 -35.22 9.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 77.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.967 ' O ' HG22 ' A' ' 9' ' ' THR . 41.5 mm -62.75 -61.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.45 -139.78 15.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.33 138.56 47.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.48 -60.16 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.98 169.86 13.39 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.5 133.04 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.3 -43.83 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.06 -161.97 35.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.6 m-85 -128.2 140.89 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.6 mt -104.21 119.23 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.748 HG22 HG22 ' A' ' 83' ' ' VAL . 39.1 t -96.22 126.8 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' NH1' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -137.67 140.49 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.452 ' CZ ' ' HB ' ' A' ' 56' ' ' VAL . 51.0 p90 -121.03 148.82 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.7 t -123.15 115.52 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD23 HG12 ' A' ' 79' ' ' ILE . 2.7 mt -62.34 138.08 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 130.75 27.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.25 5.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 3.5 t -80.89 156.27 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -118.06 15.53 14.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -113.05 117.17 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.227 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.0 m95 -85.35 112.38 20.77 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG13 ' HD2' ' A' ' 57' ' ' PRO . 58.5 t -86.0 141.35 35.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.556 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.03 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.58 91.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 30.6 p-10 -120.29 115.4 23.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -39.54 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.5 151.5 48.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.583 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.04 132.4 15.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.535 HG13 HD22 ' A' ' 59' ' ' ASN . 2.7 m -79.01 166.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.06 -39.38 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -68.68 166.83 16.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.445 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -92.45 65.43 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 108.294 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.17 169.1 28.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 75.9 t80 -167.29 171.73 10.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.38 115.54 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' THR . 27.8 t -82.82 154.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.621 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -138.92 173.71 11.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.491 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER 53.93 81.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 72' ' ' ASP . 13.7 mt -141.03 146.97 45.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.702 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.0 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.468 HG22 HH11 ' A' ' 104' ' ' ARG . 52.8 m -61.71 116.85 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.425 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.57 46.9 4.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.36 129.87 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.0 92.39 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.702 HD11 ' HD2' ' A' ' 74' ' ' PRO . 70.8 mt -105.41 140.46 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 18.7 mt -104.82 129.07 53.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.88 148.14 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -145.4 140.88 27.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.798 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -118.56 128.29 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -127.93 126.83 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.72 111.22 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.583 HG21 ' HG3' ' A' ' 62' ' ' PRO . 17.4 m -82.07 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.9 p30 -173.16 174.22 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.88 -31.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -73.66 -23.91 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 123.01 -138.2 11.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 169.67 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 84' ' ' VAL . 15.7 p -128.99 166.28 19.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.0 mm-40 -41.7 128.61 2.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.97 124.03 8.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.427 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.83 52.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -40.72 145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 97' ' ' LEU . 12.8 mt -69.75 150.69 46.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.06 -23.38 58.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -142.79 149.07 48.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.511 ' CG1' HD13 ' A' ' 103' ' ' ILE . 37.9 t -120.11 133.97 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -22.63 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.511 HD13 ' CG1' ' A' ' 101' ' ' VAL . 28.8 mm 67.23 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.512 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -177.68 146.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -98.47 153.94 18.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -167.15 86.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.64 129.05 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 145.87 32.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -91.96 140.87 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.97 149.82 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -94.61 81.63 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.43 -60.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.1 138.75 10.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -149.7 160.94 43.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.02 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 175.54 40.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.97 144.72 30.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 p -46.21 162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 130.5 42.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -44.05 159.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 158.1 42.32 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.1 161.18 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CD2' HH21 ' A' ' 30' ' ' ARG . 83.0 m-70 65.16 44.82 3.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.9 tp -97.6 108.19 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -134.81 172.46 12.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 20' ' ' VAL . 59.2 t -93.91 111.67 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 28' ' ' LYS . 68.8 mm-40 -73.4 -50.3 22.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.47 161.84 38.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 17' ' ' VAL . 54.8 t -137.0 128.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.53 -157.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -95.2 -42.52 8.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 p -123.29 11.1 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.3 p -145.24 169.91 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.454 HG21 ' CE2' ' A' ' 81' ' ' PHE . 1.5 m -154.48 146.51 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.1 m -104.33 144.45 31.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.13 142.46 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 18' ' ' GLU . 6.0 tttt -137.2 129.5 29.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.714 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.7 p90 -133.2 -177.23 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.468 HH21 ' CD2' ' A' ' 14' ' ' HIS . 12.6 mtm180 -127.89 154.13 78.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 157.95 42.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.64 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 176.44 9.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.5 -31.4 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 78.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.64 HD13 ' HG2' ' A' ' 32' ' ' PRO . 27.3 mm -67.94 -58.01 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -117.22 3.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.42 144.46 51.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.64 -66.0 3.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.14 -172.43 21.76 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 tt -105.31 138.42 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -42.98 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.19 -144.7 9.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 49.5 m-85 -144.43 149.46 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 44' ' ' LEU . 12.1 mt -110.43 109.75 20.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 83' ' ' VAL . 14.7 t -88.84 130.41 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 11.6 mt-10 -143.46 142.64 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 35.0 p90 -122.99 146.6 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 12.2 t -123.18 112.28 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.06 138.59 57.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.17 112.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.04 15.34 20.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -118.42 149.53 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.22 10.56 21.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.39 119.42 28.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.8 m95 -81.94 119.18 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.4 t -86.33 141.38 34.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.543 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 124.79 8.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.6 -43.95 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.9 p-10 -121.16 118.09 28.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -51.95 -48.23 64.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -108.48 157.77 35.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.629 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.01 129.18 12.08 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.741 HG11 ' CD1' ' A' ' 68' ' ' PHE . 16.8 m -73.94 168.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.99 -34.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.24 174.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.45 43.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.59 170.51 39.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.741 ' CD1' HG11 ' A' ' 63' ' ' VAL . 83.6 t80 -159.28 172.66 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.8 m -131.34 118.24 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.64 151.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.514 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.3 OUTLIER -130.76 170.05 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.717 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.2 OUTLIER 57.3 90.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 72' ' ' ASP . 17.7 mt -149.77 144.26 17.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.755 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 119.06 5.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.8 m -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA2' HG23 ' A' ' 102' ' ' THR . . . 87.43 50.75 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -137.82 130.89 30.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -71.97 98.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.755 HD11 ' HD2' ' A' ' 74' ' ' PRO . 65.6 mt -113.11 129.72 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 100' ' ' PRO . 30.3 mt -98.04 127.07 43.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.696 ' HB2' HD12 ' A' ' 97' ' ' LEU . 43.0 m-85 -103.77 129.75 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -128.13 135.6 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.714 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 t -112.95 133.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.1 127.86 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -75.58 124.52 7.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -99.06 156.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 176.36 177.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -46.54 -45.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . . . -52.85 -44.6 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.78 -105.41 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -134.35 164.44 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.773 . . . . 0.0 110.304 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.8 p -122.93 173.27 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 66.7 mt-10 -53.02 135.24 48.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.97 6.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.704 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -77.14 58.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -44.17 138.09 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.0 mt -65.17 150.32 48.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.68 -39.42 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.44 158.53 68.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.99 173.25 14.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 103' ' ' ILE . 38.5 t -118.28 134.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.402 HG23 ' HA2' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -77.78 -20.73 52.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.383 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 101' ' ' VAL . 24.1 mm 65.84 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -179.97 145.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.68 168.24 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.1 t -136.63 112.58 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.47 142.7 22.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.6 3.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.01 141.53 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -171.22 122.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -66.66 135.83 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -120.68 -58.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.84 -99.33 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 p 178.33 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -59.73 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.79 161.75 13.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.78 30.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -47.68 155.09 0.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 138.64 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -46.13 159.4 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.01 159.58 41.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.53 164.68 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 68.88 34.29 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.6 tp -89.8 113.97 25.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -143.05 167.13 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.513 HG11 ' CG2' ' A' ' 20' ' ' VAL . 74.9 t -89.35 119.24 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 26.6 mm-40 -85.92 -46.7 10.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -146.69 153.91 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 104' ' ' ARG . 80.9 t -134.36 125.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -157.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -46.56 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 p -125.76 11.06 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.1 p -141.99 155.33 45.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -143.95 160.45 40.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.5 m -117.08 145.73 43.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -134.1 149.87 51.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -142.5 116.4 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.864 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -122.39 177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -125.66 156.97 70.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.34 39.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.612 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.02 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.12 -24.8 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 75.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.612 HD13 ' HG2' ' A' ' 32' ' ' PRO . 9.2 mm -60.42 -68.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.26 -103.78 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.98 158.93 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.28 -62.85 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.68 138.79 5.78 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.2 tt -45.81 147.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.9 -36.98 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 86' ' ' VAL . . . 162.47 -173.16 38.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 30.7 m-85 -125.44 144.1 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.744 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.4 mt -106.0 119.86 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 83' ' ' VAL . 4.5 t -95.79 135.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 12.7 mt-10 -150.92 149.47 29.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 48.1 p90 -129.64 150.07 51.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 t -123.17 116.88 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -63.57 136.67 57.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.09 116.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.67 -24.24 22.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.112 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -81.09 157.8 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -120.67 13.45 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -127.14 126.54 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 85.6 m95 -84.61 123.81 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG13 ' HD2' ' A' ' 57' ' ' PRO . 37.2 t -85.86 137.63 35.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.03 111.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.41 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.611 HD22 HG13 ' A' ' 63' ' ' VAL . 10.4 p-10 -121.01 119.39 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -29.8 61.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.0 153.82 64.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.99 138.07 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.64 HG11 ' CD1' ' A' ' 68' ' ' PHE . 14.5 m -83.59 175.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 12.9 pt-20 -108.52 -43.65 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 3.0 mpp_? -62.32 -179.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -104.64 53.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.84 169.09 35.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.64 ' CD1' HG11 ' A' ' 63' ' ' VAL . 80.2 t80 -164.66 165.29 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.28 127.65 52.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 24' ' ' THR . 47.8 t -95.29 154.71 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -139.97 171.44 14.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 58.84 73.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.19 146.85 56.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.62 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.95 119.48 5.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.6 m -63.99 121.11 13.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 45.22 6.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.72 131.78 38.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.05 98.82 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.62 HD11 ' HD2' ' A' ' 74' ' ' PRO . 61.0 mt -114.4 142.15 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 100' ' ' PRO . 31.5 mt -100.53 141.96 32.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.65 ' HB2' HD12 ' A' ' 97' ' ' LEU . 27.8 m-85 -116.91 131.72 56.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -131.55 140.79 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.864 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.2 t -119.77 126.29 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -123.05 126.61 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.542 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.58 115.47 4.27 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 42' ' ' GLY . 10.4 m -84.89 158.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 5.9 p30 -176.32 171.88 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.58 -30.4 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -73.68 -19.69 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 121.54 -138.74 12.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -108.49 161.66 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.27 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.604 ' O ' HG12 ' A' ' 84' ' ' VAL . 26.4 p -113.99 179.0 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 5.9 mt-10 -57.98 136.19 83.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.618 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.02 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.537 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -78.33 57.1 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 m -43.68 148.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.65 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.5 mt -74.12 142.3 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.55 -24.21 67.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -144.04 148.09 40.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.45 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.03 174.68 12.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 103' ' ' ILE . 39.4 t -121.8 131.65 72.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.0 -18.29 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.451 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.7 mm 64.04 100.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.559 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -170.72 147.06 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.96 164.25 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -91.99 156.07 17.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.16 90.05 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 165.94 30.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 t -150.03 130.7 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t 40.05 90.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.055 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 m -90.0 167.57 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -60.11 105.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.52 118.31 1.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -119.74 106.67 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.82 151.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.38 -118.57 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.22 21.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.779 HG22 ' HA ' ' A' ' 35' ' ' ILE . 8.5 p -39.88 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 139.23 58.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.48 159.31 0.89 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.663 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 153.6 41.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -137.82 166.44 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 59.38 42.95 17.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 95' ' ' ALA . 38.6 tp -94.96 104.52 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.66 174.18 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 t -99.43 107.43 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 30.1 mm-40 -70.18 -56.51 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -138.46 173.97 11.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 19' ' ' ASP . 3.0 t -152.63 132.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -162.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.46 -37.06 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -127.27 5.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 71' ' ' LYS . 3.2 p -142.57 166.18 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 HG23 HG22 ' A' ' 20' ' ' VAL . 1.2 m -153.94 144.23 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.1 m -99.44 149.56 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -138.71 158.53 44.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.3 tttt -153.2 125.95 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.8 p90 -133.36 178.44 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -116.81 154.73 49.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 153.33 41.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -75.06 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 -33.19 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -98.18 86.4 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.779 ' HA ' HG22 ' A' ' 9' ' ' THR . 3.5 mt -107.17 -66.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 37' ' ' ALA . . . 115.23 69.03 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . 72.06 52.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.46 31.29 9.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 35' ' ' ILE . . . -82.72 111.03 3.31 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 tt -174.36 141.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -32.0 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.6 -143.96 11.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 92.3 m-85 -140.41 151.8 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 84' ' ' VAL . 15.6 mt -112.53 107.25 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.916 HG22 HG22 ' A' ' 83' ' ' VAL . 15.7 t -88.91 117.87 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 6.7 mt-10 -126.81 143.98 51.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.1 p90 -124.48 145.64 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 53.0 t -123.24 117.73 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -65.44 136.3 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.33 129.46 15.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.8 -30.67 8.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.7 t -80.99 152.33 28.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.14 14.09 16.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -117.31 120.05 37.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 66.9 m95 -84.51 116.57 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.5 t -86.99 141.64 33.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -64.42 -46.23 84.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.9 p-10 -120.96 122.51 40.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -53.96 -43.83 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -108.62 156.18 39.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.625 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 68' ' ' PHE . 26.9 m -74.39 172.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.83 -33.81 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 169.54 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 17.6 p -91.88 47.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.07 178.65 48.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 63' ' ' VAL . 89.0 t80 -171.09 171.45 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.66 110.71 11.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.89 154.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -137.22 171.13 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 73' ' ' LEU . 55.6 m-20 52.7 84.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 72' ' ' ASP . 11.0 mt -144.09 144.25 25.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.848 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.05 119.77 5.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -61.75 118.14 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.38 42.53 5.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.85 129.17 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 90.6 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.848 HD11 ' HD2' ' A' ' 74' ' ' PRO . 63.7 mt -102.68 137.76 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 24.2 mt -103.65 125.67 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.635 ' HB2' HD12 ' A' ' 97' ' ' LEU . 41.9 m-85 -102.34 135.44 43.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HD2' ' CB ' ' A' ' 94' ' ' PRO . 47.4 ptt85 -136.76 134.62 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.916 HG22 HG22 ' A' ' 45' ' ' VAL . 3.4 t -110.94 133.06 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 44' ' ' LEU . 3.0 m -126.92 134.01 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.63 117.36 4.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.625 HG21 ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -96.93 158.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.434 HD21 ' HB3' ' A' ' 89' ' ' ALA . 30.2 p-10 177.16 -177.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.3 -40.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 87' ' ' ASN . . . -56.77 -46.47 81.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.46 -105.53 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -136.11 167.47 21.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -129.25 170.51 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.98 134.81 28.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.435 ' CB ' ' HD2' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.05 127.06 10.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.661 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.06 54.35 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -40.06 145.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 81' ' ' PHE . 15.2 mt -70.95 147.17 48.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.42 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -143.29 150.38 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.1 t -119.21 134.55 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -23.48 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.402 ' H ' HG12 ' A' ' 101' ' ' VAL . 26.0 mm 65.45 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -179.87 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 148.86 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.98 139.44 52.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.99 141.08 5.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.17 41.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.8 p -80.77 84.95 6.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.8 m -56.58 129.55 41.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 132.27 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -45.28 161.35 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.95 158.27 42.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.83 167.61 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 64.67 34.4 9.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 95' ' ' ALA . 11.4 tp -92.66 110.41 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -139.59 171.16 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.408 ' CG1' HG23 ' A' ' 20' ' ' VAL . 51.9 t -91.42 112.09 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -77.52 -55.14 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.25 165.96 25.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.743 HG22 HG23 ' A' ' 25' ' ' THR . 9.2 t -145.51 129.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -157.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.88 -50.3 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -124.65 19.95 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.2 p -146.91 149.95 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.743 HG23 HG22 ' A' ' 20' ' ' VAL . 93.1 m -139.32 155.58 47.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -114.92 145.56 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.5 mt -136.63 141.47 43.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 122.51 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.7 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -128.48 179.45 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -123.43 154.63 66.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.94 39.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.06 15.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -107.4 -33.24 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.96 6.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 27.6 m-85 -149.28 142.96 25.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.16 115.81 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 83' ' ' VAL . 3.2 t -96.82 125.06 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.6 mt-10 -135.57 136.92 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.4 p90 -119.21 146.35 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.1 t -123.23 116.62 23.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 108.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -64.77 137.31 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.3 127.51 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.81 10.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 t -80.9 156.85 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -120.55 13.54 11.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -117.45 117.35 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 77.5 m95 -81.47 113.58 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG13 ' HD2' ' A' ' 57' ' ' PRO . 99.1 t -84.52 141.7 39.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.77 78.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 9.0 p-10 -120.85 113.45 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -50.74 6.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -105.72 151.31 39.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.0 122.55 7.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG11 ' CD1' ' A' ' 68' ' ' PHE . 24.2 m -61.51 173.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.2 pt-20 -106.36 -36.27 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -79.53 165.97 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -90.82 52.43 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.16 146.94 7.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD1' HG11 ' A' ' 63' ' ' VAL . 89.4 t80 -152.89 172.05 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.2 m -130.66 118.33 20.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' THR . 27.0 t -90.33 132.23 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' HG22 ' A' ' 24' ' ' THR . 5.5 ptpt -117.56 172.83 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.586 ' O ' HD23 ' A' ' 73' ' ' LEU . 2.0 t70 59.84 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 72' ' ' ASP . 12.9 mt -146.42 145.83 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.711 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.07 119.23 5.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.4 m -61.98 116.63 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.47 44.93 4.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.57 130.38 42.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 86.69 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.711 HD11 ' HD2' ' A' ' 74' ' ' PRO . 52.4 mt -99.71 137.46 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -101.21 127.83 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.667 ' HB2' HD12 ' A' ' 97' ' ' LEU . 23.7 m-85 -103.28 142.27 34.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -141.81 140.31 32.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.7 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 t -119.3 130.71 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.1 m -128.13 127.98 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.62 119.65 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 90' ' ' GLY . 4.8 m -90.64 159.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.67 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 9.1 p30 -175.97 170.88 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -51.95 -28.24 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.67 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -72.9 -30.11 63.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 134.74 -113.39 1.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.117 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -131.06 164.61 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 p -117.43 175.95 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -53.62 137.12 53.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.429 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.96 125.45 9.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.581 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.7 52.86 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 m -38.72 147.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 81' ' ' PHE . 11.7 mt -75.82 142.54 42.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.61 -29.19 70.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -141.09 148.71 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.526 ' CG1' HD13 ' A' ' 103' ' ' ILE . 45.0 t -116.01 134.71 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.08 -25.04 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.526 HD13 ' CG1' ' A' ' 101' ' ' VAL . 29.5 mm 67.25 101.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.506 ' O ' HG12 ' A' ' 20' ' ' VAL . 3.8 mtt180 -178.82 148.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 135.13 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -47.88 163.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.04 161.44 38.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.85 169.07 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 63.89 35.51 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 95' ' ' ALA . 27.4 tp -89.66 114.4 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -142.47 174.84 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.424 HG11 ' CG2' ' A' ' 20' ' ' VAL . 41.5 t -100.64 107.93 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 32.1 mm-40 -70.87 -48.78 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -146.64 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' CG2' HG11 ' A' ' 17' ' ' VAL . 53.4 t -139.43 142.48 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -159.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.9 -49.47 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -123.4 14.48 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.5 p -141.84 167.57 21.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -156.56 152.24 27.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.7 m -107.98 150.58 26.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -137.89 156.16 48.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -151.35 118.51 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.8 p90 -125.74 -177.11 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 154.76 81.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.9 42.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -27.57 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.39 -149.57 10.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 21.0 m-85 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.5 HD12 HG11 ' A' ' 86' ' ' VAL . 9.6 mt -101.42 120.51 40.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 83' ' ' VAL . 21.0 t -97.97 131.7 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 7.6 mt-10 -141.97 141.39 32.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.4 p90 -122.49 145.64 48.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 43.2 t -123.29 116.2 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.11 134.63 53.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.92 121.51 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.44 -27.12 20.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 22.2 t -81.14 150.56 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -114.95 15.09 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.91 116.3 21.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 59.4 m95 -79.09 118.43 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 57' ' ' PRO . 82.8 t -87.01 141.63 33.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 111.93 3.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.58 85.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 25.1 p-10 -120.83 118.96 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -51.2 -48.19 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 152.39 42.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.41 19.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 68' ' ' PHE . 31.4 m -74.37 -175.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.17 -42.31 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.06 165.47 24.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.451 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 29.4 p -89.27 52.56 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.5 149.48 10.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 63' ' ' VAL . 80.1 t80 -157.69 171.41 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -134.6 124.78 25.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' THR . 5.0 t -92.22 153.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.696 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -135.18 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER 55.49 80.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.8 mt -142.48 145.28 34.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.703 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.0 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.6 m -62.22 121.84 14.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.01 45.81 6.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.31 131.11 41.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.43 97.83 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.703 HD11 ' HD2' ' A' ' 74' ' ' PRO . 70.2 mt -112.97 137.84 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.0 mt -103.9 126.41 51.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.4 m-85 -102.58 130.86 49.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -130.64 135.18 47.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 45' ' ' VAL . 2.3 t -111.85 137.17 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 92' ' ' SER . 1.4 m -133.34 134.32 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.16 114.62 3.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.5 HG11 HD12 ' A' ' 44' ' ' LEU . 19.3 m -85.85 160.61 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 6.1 p-10 177.44 173.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -49.37 -42.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.8 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 130.34 -111.83 1.19 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.27 165.26 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 84' ' ' VAL . 70.6 p -117.94 166.02 13.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.26 135.59 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.68 11.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.612 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -86.61 55.75 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 m -42.71 143.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD12 ' HB2' ' A' ' 81' ' ' PHE . 16.3 mt -70.71 141.55 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.73 -35.02 75.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -135.41 151.3 74.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 103' ' ' ILE . 42.1 t -121.35 134.28 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -21.14 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.421 ' H ' HG12 ' A' ' 101' ' ' VAL . 28.1 mm 64.79 100.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -178.88 145.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.7 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -44.42 157.28 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.93 156.6 43.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.34 168.68 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 65.87 31.18 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 95' ' ' ALA . 33.4 tp -85.32 109.25 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.05 169.45 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' CG2' ' A' ' 20' ' ' VAL . 70.9 t -93.66 121.62 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 54.7 mm-40 -85.9 -49.55 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -145.47 155.83 43.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 104' ' ' ARG . 87.7 t -133.47 126.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 -157.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.2 -43.04 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -127.68 13.06 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.8 p -145.52 154.56 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.427 HG21 ' CE2' ' A' ' 81' ' ' PHE . 1.5 m -142.13 149.76 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.9 m -106.67 141.86 37.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.99 156.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -151.0 125.02 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.9 p90 -130.95 -179.0 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.24 155.08 68.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.46 42.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -112.1 -32.57 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.14 -154.57 21.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 22.0 m-85 -141.51 142.06 33.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.3 mt -104.42 124.87 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.948 HG22 HG22 ' A' ' 83' ' ' VAL . 18.3 t -102.4 132.42 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt-10 -140.71 136.9 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 39.0 p90 -119.85 145.59 46.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.3 t -123.35 119.73 30.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 79' ' ' ILE . 1.6 mt -67.86 137.07 55.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.08 127.34 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.68 -29.06 12.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -80.99 148.5 29.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 14.74 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 123.27 42.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.7 m95 -85.05 121.56 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.563 HG13 ' HD2' ' A' ' 57' ' ' PRO . 75.6 t -91.46 141.4 25.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.08 79.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.569 HD22 HG13 ' A' ' 63' ' ' VAL . 8.2 p-10 -120.84 119.95 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.63 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -124.02 157.13 64.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.537 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 HD22 ' A' ' 59' ' ' ASN . 5.9 m -91.9 157.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -91.76 -32.14 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -69.44 166.98 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -91.81 50.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' O ' HG21 ' A' ' 63' ' ' VAL . . . 174.8 -177.07 47.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 67.6 t80 -173.35 170.72 4.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.1 m -129.7 120.41 25.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -138.15 170.3 16.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.7 t0 57.8 81.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 72' ' ' ASP . 12.5 mt -142.69 146.87 40.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.586 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.01 119.2 5.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 m -62.87 117.54 6.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.33 4.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.07 130.57 37.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -76.57 98.35 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 74' ' ' PRO . 59.8 mt -112.93 138.47 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 21.6 mt -101.46 128.44 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' HB2' HD12 ' A' ' 97' ' ' LEU . 29.8 m-85 -101.82 144.95 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -141.92 148.11 38.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.948 HG22 HG22 ' A' ' 45' ' ' VAL . 2.6 t -128.94 137.37 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -134.92 131.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.39 117.2 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.537 HG21 ' HG3' ' A' ' 62' ' ' PRO . 18.8 m -88.81 158.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.479 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 4.8 p-10 174.45 177.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -50.61 -42.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -60.65 -23.83 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 117.2 -121.43 5.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -120.72 159.12 26.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.8 p -114.96 -175.33 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 6.6 tt0 -60.68 133.38 91.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.04 118.45 5.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.624 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -75.91 61.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -46.87 143.87 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.5 mt -70.08 151.12 45.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.05 -35.36 69.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -133.7 150.01 73.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.572 ' CG1' HD13 ' A' ' 103' ' ' ILE . 37.7 t -119.78 133.52 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -25.26 42.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.572 HD13 ' CG1' ' A' ' 101' ' ' VAL . 30.5 mm 68.43 100.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.567 ' H ' HG12 ' A' ' 20' ' ' VAL . 2.6 mtt180 -176.12 146.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.96 137.88 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -54.21 166.03 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -74.97 154.91 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 165.1 29.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.458 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 66.0 m-70 65.64 36.91 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 95' ' ' ALA . 12.1 tp -92.34 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -139.39 169.82 17.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG11 ' CG2' ' A' ' 20' ' ' VAL . 64.6 t -94.46 113.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -76.95 -46.86 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.69 163.07 37.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 104' ' ' ARG . 81.8 t -138.59 136.29 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 22' ' ' ASP . 1.4 m -108.1 -157.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 21' ' ' THR . 1.4 m-20 -87.5 -49.67 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -121.95 9.47 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.73 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.5 p -140.39 165.5 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.44 HG23 HG22 ' A' ' 20' ' ' VAL . 4.7 m -151.92 162.25 41.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -115.42 146.61 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -136.99 150.19 47.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 117.45 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.695 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.7 p90 -121.15 -176.59 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 12.4 mtm180 -125.79 154.23 73.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 158.18 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.41 12.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -110.3 -22.54 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -139.85 5.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 23.9 m-85 -149.49 141.53 23.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.9 mt -102.06 127.44 48.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.711 HG22 HG22 ' A' ' 83' ' ' VAL . 21.3 t -104.87 129.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 6.9 mt-10 -141.92 137.51 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 26.0 p90 -119.52 144.49 47.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.1 t -123.38 118.9 28.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 79' ' ' ILE . 1.7 mt -65.35 134.47 53.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 6.8 tp10 -49.33 115.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.88 -26.68 12.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -80.94 150.9 28.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -113.81 14.66 18.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.92 116.22 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.496 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 54.4 m95 -78.59 124.1 27.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 57' ' ' PRO . 65.1 t -91.47 141.53 26.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.66 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 17.1 p-10 -120.95 118.34 29.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.84 -32.99 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 8.4 pt-20 -125.24 156.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.38 16.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.669 HG11 ' CD1' ' A' ' 68' ' ' PHE . 27.5 m -76.23 172.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 6.1 pt-20 -106.28 -36.19 6.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 6.6 mtm180 -70.84 169.62 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -91.53 49.1 1.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.53 175.14 44.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.669 ' CD1' HG11 ' A' ' 63' ' ' VAL . 76.1 t80 -167.83 167.7 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.1 m -126.11 119.3 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . 11.9 t -85.83 153.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -136.5 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.475 ' O ' HD23 ' A' ' 73' ' ' LEU . 7.5 t70 55.41 79.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.7 mt -142.54 143.76 27.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.699 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.99 122.38 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.3 m -64.01 118.06 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.85 44.79 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -128.96 136.78 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 46.0 mtt180 -78.01 98.15 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.699 HD11 ' HD2' ' A' ' 74' ' ' PRO . 47.7 mt -116.96 142.12 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.11 127.49 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.611 ' HB2' HD12 ' A' ' 97' ' ' LEU . 27.1 m-85 -102.1 127.76 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.54 137.1 50.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.711 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -113.72 138.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.5 m -134.04 125.54 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.78 114.58 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.4 m -84.65 160.59 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 3.3 p30 -179.2 -179.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -42.19 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.72 68.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.18 -104.25 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -134.6 166.69 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.5 p -122.3 175.64 6.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.1 mt-10 -50.65 133.41 27.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.06 116.62 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.594 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -77.95 56.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.2 m -48.29 158.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 81' ' ' PHE . 17.8 mt -79.42 144.57 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mt -68.68 -17.87 64.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -148.82 149.57 30.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.47 8.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.0 t -123.46 133.61 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -20.63 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.503 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.0 mm 63.2 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -178.44 147.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 136.33 34.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.01 158.76 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.03 161.02 39.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.82 173.44 12.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 63.94 26.2 14.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 95' ' ' ALA . 26.7 tp -83.13 109.88 17.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -139.88 167.15 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.536 ' CG1' HG23 ' A' ' 20' ' ' VAL . 36.3 t -92.49 102.64 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 9.1 mm-40 -65.21 -57.56 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 49.8 t0 -135.44 167.97 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG22 HG23 ' A' ' 25' ' ' THR . 25.0 t -145.9 122.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 -157.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -35.44 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 24' ' ' THR . 1.9 p -136.01 21.52 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 23' ' ' THR . 1.2 p -154.95 138.65 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.715 HG23 HG22 ' A' ' 20' ' ' VAL . 59.0 m -128.96 146.09 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.5 m -105.32 149.66 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -139.82 148.69 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.7 tttp -144.57 119.72 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -125.51 179.46 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.032 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -126.25 155.03 74.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.94 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -104.94 -26.19 12.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.11 -139.7 4.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 35.2 m-85 -148.06 151.32 35.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.0 mt -112.45 112.95 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.684 HG22 HG22 ' A' ' 83' ' ' VAL . 8.2 t -93.51 139.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 82' ' ' ARG . 13.0 mt-10 -151.57 143.21 23.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 22.8 p90 -122.53 145.2 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.1 t -123.21 114.32 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.65 137.24 58.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -49.46 127.21 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.07 -29.5 11.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 28.4 t -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.62 -2.41 11.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 129.07 45.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -97.07 113.27 24.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 107.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.575 HG13 ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -82.38 141.62 45.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.575 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.06 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -63.53 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.4 p-10 -121.09 126.28 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.03 81.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.89 157.17 42.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.07 126.93 10.24 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 ' HD1' ' A' ' 68' ' ' PHE . 34.0 m -64.07 178.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.57 -37.69 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -86.11 163.84 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.452 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 36.4 m -85.53 59.72 5.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.45 153.84 12.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 78.9 t80 -154.7 167.47 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -126.56 103.24 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 73' ' ' LEU . 22.0 t -78.81 129.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -122.62 178.49 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.52 68.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD21 HG12 ' A' ' 70' ' ' VAL . 6.7 mt -132.8 148.31 68.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.583 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 118.66 5.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -60.12 117.8 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.9 54.25 3.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -140.9 130.96 24.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -75.38 98.81 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 74' ' ' PRO . 54.1 mt -117.28 140.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 100' ' ' PRO . 35.1 mt -104.62 132.99 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . 28.6 m-85 -104.82 141.93 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -137.9 144.01 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.72 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 t -124.05 136.42 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 92' ' ' SER . 2.2 m -135.46 134.38 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.07 116.53 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.28 159.89 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.558 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 8.7 p-10 176.66 -178.0 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.4 tt -54.63 -42.32 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -57.21 -39.7 75.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.67 -109.31 0.69 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 161.42 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 84' ' ' VAL . 24.3 p -119.7 160.76 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -42.13 135.2 2.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.605 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -84.29 51.43 2.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -41.05 142.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.3 mt -64.67 152.61 41.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.25 -23.41 54.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -140.93 149.72 57.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.657 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.93 175.5 11.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.564 ' CG1' HD13 ' A' ' 103' ' ' ILE . 39.6 t -123.25 133.61 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -22.43 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.347 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.564 HD13 ' CG1' ' A' ' 101' ' ' VAL . 29.6 mm 67.21 100.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.489 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -178.7 145.45 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.41 133.64 34.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -49.08 162.12 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.96 156.28 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.23 166.4 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 66.08 28.06 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 95' ' ' ALA . 15.5 tp -85.2 112.28 20.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -145.38 167.08 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG11 ' CG2' ' A' ' 20' ' ' VAL . 47.8 t -91.03 109.91 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.54 -45.28 54.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.35 166.42 25.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.543 ' CG2' HG11 ' A' ' 17' ' ' VAL . 50.0 t -143.58 127.38 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.55 -158.09 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 -36.38 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -135.76 17.58 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -150.32 145.66 26.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' THR . 19.7 m -131.57 162.67 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -121.71 139.72 53.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -132.07 141.26 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.03 120.03 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 9.9 p90 -125.1 -177.24 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.86 155.77 66.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.98 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.13 -19.98 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.59 -148.72 14.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 16.7 m-85 -137.24 139.98 41.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.2 mt -98.06 130.52 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 83' ' ' VAL . 20.1 t -109.48 142.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -158.06 153.33 25.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.6 p90 -129.7 144.68 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.9 t -123.32 111.25 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD23 HG12 ' A' ' 79' ' ' ILE . 1.3 mt -59.34 139.98 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.94 125.74 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.01 -27.77 18.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 t -80.99 155.28 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -114.66 -6.17 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.1 pt-20 -98.34 124.16 42.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.6 m95 -90.89 115.35 27.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 57' ' ' PRO . 62.9 t -86.71 141.39 33.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 131.51 14.4 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.81 -45.2 12.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.0 p-10 -121.12 109.53 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASN . 7.4 mtpm? -40.13 -47.33 2.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 26.6 mt-10 -112.27 156.98 41.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.95 130.99 13.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.579 HG11 ' HD1' ' A' ' 68' ' ' PHE . 33.9 m -66.55 -175.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.12 -41.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.17 176.08 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.5 p -98.51 58.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.75 147.57 7.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.579 ' HD1' HG11 ' A' ' 63' ' ' VAL . 83.7 t80 -157.82 172.18 18.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 1.8 m -130.75 129.88 43.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.6 t -101.17 118.37 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.51 177.38 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.471 ' O ' HD23 ' A' ' 73' ' ' LEU . 20.9 m-20 59.33 77.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 72' ' ' ASP . 13.3 mt -141.95 144.26 31.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.92 123.98 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.4 m -62.33 121.98 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.95 54.36 4.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.01 131.64 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.94 97.86 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.646 HD11 ' HD2' ' A' ' 74' ' ' PRO . 58.5 mt -117.18 142.34 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 100' ' ' PRO . 26.3 mt -108.52 135.08 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.669 ' HB2' HD12 ' A' ' 97' ' ' LEU . 25.5 m-85 -112.26 129.45 56.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 51.6 ptt85 -133.68 136.58 44.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 45' ' ' VAL . 2.1 t -111.67 140.48 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 92' ' ' SER . 1.7 m -133.7 134.06 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.8 111.61 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 62' ' ' PRO . 21.2 m -82.56 160.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 8.1 p-10 173.93 175.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -52.06 -39.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.54 -21.13 66.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 119.5 -106.88 1.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -136.75 163.79 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 84' ' ' VAL . 59.8 p -118.13 165.14 14.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.43 134.24 3.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.57 12.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -84.32 52.07 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -41.82 138.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.669 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.7 mt -63.52 148.25 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.4 -26.27 66.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -144.08 153.82 57.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.542 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.03 177.93 7.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.809 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG1' HD13 ' A' ' 103' ' ' ILE . 42.1 t -124.24 134.11 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.11 -20.99 40.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.416 HD13 ' CG1' ' A' ' 101' ' ' VAL . 20.3 mm 65.87 100.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.466 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -175.9 146.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.34 147.21 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -62.79 161.96 25.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 155.27 42.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.87 162.06 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CD2' HH21 ' A' ' 30' ' ' ARG . 68.6 m-70 65.62 41.18 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 95' ' ' ALA . 13.1 tp -94.07 113.72 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -137.23 174.55 10.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 20' ' ' VAL . 40.0 t -99.64 106.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 81.5 mm-40 -68.22 -51.51 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -142.28 166.49 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG23 ' CG1' ' A' ' 17' ' ' VAL . 24.4 t -141.41 126.61 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -101.81 -162.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.28 -55.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -115.63 12.88 16.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.7 p -146.5 158.28 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' THR . 1.2 m -144.52 157.53 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -112.09 145.47 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -134.18 155.22 50.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 12.9 tttt -151.3 120.1 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.739 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.4 p90 -124.76 -176.42 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.451 HH21 ' CD2' ' A' ' 14' ' ' HIS . 10.5 mtm180 -124.59 155.05 69.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.01 42.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.96 13.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.49 -28.76 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.55 -147.72 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 24.1 m-85 -146.54 142.83 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.5 mt -103.39 119.29 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 83' ' ' VAL . 23.3 t -96.66 135.69 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -148.48 142.65 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 30.1 p90 -123.95 147.19 47.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.9 t -123.25 116.69 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 HG12 ' A' ' 79' ' ' ILE . 1.6 mt -64.43 138.6 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.67 126.89 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.6 23.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -84.23 149.34 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -110.7 12.26 22.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.56 121.35 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.8 m95 -82.79 116.73 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.017 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 57' ' ' PRO . 59.6 t -84.29 141.42 39.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 122.28 7.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.68 -44.23 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 p-10 -121.05 132.5 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.26 -48.47 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.51 157.64 37.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 133.04 16.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.742 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.6 m -81.55 157.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -91.41 -35.36 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.87 168.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.9 p -94.64 54.26 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' HG21 ' A' ' 63' ' ' VAL . . . 170.92 -179.31 42.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.742 ' CD1' HG11 ' A' ' 63' ' ' VAL . 84.6 t80 -172.34 168.84 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.0 m -126.91 121.45 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.7 t -87.67 154.25 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -138.02 169.38 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.642 ' O ' HD23 ' A' ' 73' ' ' LEU . 8.0 t70 60.24 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 72' ' ' ASP . 25.0 mt -140.12 143.14 32.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.65 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.1 m -62.62 117.79 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' HG23 ' A' ' 102' ' ' THR . . . 91.36 38.97 5.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.39 134.78 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -80.48 99.49 8.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 74' ' ' PRO . 48.8 mt -114.69 138.81 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 100' ' ' PRO . 29.7 mt -102.55 131.36 49.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.425 ' HB2' HD12 ' A' ' 97' ' ' LEU . 29.3 m-85 -104.44 142.12 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -140.15 139.21 35.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.739 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -118.8 129.14 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -124.9 129.19 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.27 119.19 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.82 160.56 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.72 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 4.4 p30 -173.12 177.83 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -49.58 -29.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.72 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -78.88 -37.06 41.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 132.42 -160.21 23.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.14 160.56 26.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.1 p -120.75 -177.46 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.31 133.24 24.76 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 125.77 9.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.522 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -83.31 52.07 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 m -40.48 149.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 97' ' ' LEU . 13.2 mt -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.46 -32.74 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -135.97 149.84 69.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.447 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.0 t -120.34 133.07 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.409 HG23 ' HA2' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.36 -20.57 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.421 ' H ' HG12 ' A' ' 101' ' ' VAL . 21.4 mm 65.03 98.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -175.06 147.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.249 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -75.82 139.71 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -47.16 159.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.98 166.74 28.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.05 168.07 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.444 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 27.9 m-70 65.4 31.12 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.7 tp -88.44 109.09 19.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.43 168.61 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.405 HG11 ' CG2' ' A' ' 20' ' ' VAL . 77.6 t -91.93 115.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -82.65 -44.52 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -148.53 161.82 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 ' H ' ' A' ' 104' ' ' ARG . 95.9 t -139.24 144.28 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -158.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 -33.78 15.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 p -136.5 16.07 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.0 p -145.59 165.78 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -153.96 150.31 28.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.6 m -106.75 150.98 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -140.27 149.07 42.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.62 118.04 8.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 6.2 p90 -125.56 173.8 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.035 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 2.0 mmp_? -116.82 156.16 48.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.2 Cg_endo -75.03 156.37 42.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.568 1.825 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.98 173.0 15.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.08 -32.71 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.15 -145.25 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 29.3 m-85 -144.2 139.93 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.8 mt -101.22 116.28 32.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 83' ' ' VAL . 12.5 t -97.11 146.04 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -161.55 140.92 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 36.5 p90 -118.13 144.32 45.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 9.3 t -123.33 127.15 48.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -73.22 137.81 45.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.36 126.3 11.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.04 11.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -81.15 142.11 33.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -105.94 14.31 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 115.09 24.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 42.9 m95 -83.44 115.55 22.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.3 t -81.99 141.56 47.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.93 122.62 7.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -79.33 -44.02 22.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 15.0 p-10 -121.13 112.15 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -50.74 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.34 158.18 33.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.01 132.21 15.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.629 HG11 ' HD1' ' A' ' 68' ' ' PHE . 16.1 m -73.84 -178.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -112.54 -45.5 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -77.29 164.92 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 6.3 m -89.83 62.61 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.94 147.41 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.629 ' HD1' HG11 ' A' ' 63' ' ' VAL . 72.3 t80 -156.39 170.69 21.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.491 ' N ' ' CD2' ' A' ' 68' ' ' PHE . 2.0 m -132.07 125.2 30.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.534 HG22 ' HB1' ' A' ' 58' ' ' ALA . 46.3 t -94.09 154.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.48 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.3 OUTLIER -138.69 170.5 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.2 t0 62.01 79.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 72' ' ' ASP . 10.2 mt -142.28 145.36 34.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.764 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -74.96 119.42 5.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 m -60.14 122.41 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.54 48.42 6.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.65 129.54 35.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 96.12 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.764 HD11 ' HD2' ' A' ' 74' ' ' PRO . 72.7 mt -110.86 138.42 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 100' ' ' PRO . 20.7 mt -104.53 132.39 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.599 ' HB2' HD12 ' A' ' 97' ' ' LEU . 58.6 m-85 -109.9 129.7 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.486 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.0 ptt85 -130.8 135.59 47.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 45' ' ' VAL . 2.3 t -112.74 141.36 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -135.52 131.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.16 108.92 2.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 62' ' ' PRO . 11.7 m -83.37 153.36 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' GLY . 2.2 p30 -170.19 172.46 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -48.99 -33.59 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.63 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 137.91 -106.55 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.32 169.14 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -124.7 -176.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 3.7 tt0 -59.62 133.51 88.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.03 122.51 7.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -79.45 58.01 2.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -45.6 143.0 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.7 mt -66.52 148.3 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.47 -20.14 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -150.01 151.6 32.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.96 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 103' ' ' ILE . 42.3 t -121.16 134.99 62.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -19.49 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.472 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.3 mm 63.78 100.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.509 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -177.7 148.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.5 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.83 143.07 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -56.24 162.09 3.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -74.96 162.67 36.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.82 167.98 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.54 35.88 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 95' ' ' ALA . 36.5 tp -88.03 111.36 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -141.88 171.46 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.438 HG11 ' CG2' ' A' ' 20' ' ' VAL . 60.7 t -95.04 115.98 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -82.54 -46.57 13.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.55 157.23 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG22 HG23 ' A' ' 25' ' ' THR . 68.5 t -137.1 146.9 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.427 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -118.29 -160.47 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.26 -41.92 17.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -129.2 3.89 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.428 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.427 ' OG1' ' CB ' ' A' ' 21' ' ' THR . 1.9 p -129.35 172.11 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 20' ' ' VAL . 3.6 m -161.9 159.38 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -118.25 146.04 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -134.94 152.0 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -144.46 123.24 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 83' ' ' VAL . 4.7 p90 -129.99 -178.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.58 41.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.52 9.82 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -105.65 -26.88 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.03 -142.01 7.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 88.2 m-85 -148.03 145.86 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.534 HD12 ' CG1' ' A' ' 86' ' ' VAL . 13.4 mt -107.61 115.21 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 83' ' ' VAL . 2.3 t -96.46 133.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -144.32 144.66 31.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 33.4 p90 -123.91 144.7 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 40.4 t -123.36 123.05 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 108.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -70.68 138.64 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.48 133.38 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.77 -31.92 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 44.2 t -80.85 150.78 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.8 11.55 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 117.03 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.9 m95 -84.92 113.35 21.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 57' ' ' PRO . 87.2 t -84.43 141.8 39.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -72.35 -44.18 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 5.1 p-10 -120.13 114.01 21.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -48.31 -38.96 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.53 156.28 46.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.496 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.02 126.84 10.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.681 HG11 ' CD1' ' A' ' 68' ' ' PHE . 15.7 m -72.67 167.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.5 -34.48 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.91 170.68 10.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.407 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 31.8 p -93.74 58.8 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.5 176.87 35.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.681 ' CD1' HG11 ' A' ' 63' ' ' VAL . 71.8 t80 -164.3 174.07 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.3 m -132.46 115.27 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -83.56 154.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -136.26 172.24 13.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.8 OUTLIER 50.06 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 72' ' ' ASP . 19.8 mt -146.09 148.27 34.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.692 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.02 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.7 m -63.55 121.46 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.42 47.17 6.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.33 130.01 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -75.7 96.12 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.692 HD11 ' HD2' ' A' ' 74' ' ' PRO . 80.4 mt -108.48 133.28 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 mt -97.37 129.31 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HB2' HD12 ' A' ' 97' ' ' LEU . 23.5 m-85 -104.39 146.87 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -144.41 142.66 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.777 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 t -122.85 128.44 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 44' ' ' LEU . 1.6 m -124.89 134.15 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.32 119.86 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.534 ' CG1' HD12 ' A' ' 44' ' ' LEU . 4.6 m -90.86 160.53 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.68 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 5.4 p30 178.62 172.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.31 -27.32 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.68 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -72.92 -25.89 61.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 126.86 -109.47 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.52 164.72 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 p -120.16 170.06 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -48.09 136.1 11.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 126.6 10.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.689 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.54 54.01 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -41.38 144.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 81' ' ' PHE . 15.6 mt -71.91 145.97 48.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.21 -16.68 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.77 150.07 32.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.64 4.32 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' HD13 ' A' ' 103' ' ' ILE . 43.9 t -126.32 133.04 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.91 -25.07 43.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.503 HD13 ' CG1' ' A' ' 101' ' ' VAL . 33.7 mm 67.41 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.534 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -178.35 151.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.232 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.7 142.86 48.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -53.12 152.25 8.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 142.79 28.26 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.72 167.73 19.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 39.5 m-70 72.81 21.96 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.612 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.5 tp -83.35 108.75 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -136.76 173.33 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -94.97 108.93 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -75.46 -51.78 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -144.3 158.52 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 104' ' ' ARG . 84.1 t -135.99 124.98 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 -162.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -56.08 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -116.67 14.46 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.2 p -145.28 155.91 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 20' ' ' VAL . 71.8 m -142.62 159.12 42.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -114.42 150.47 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 mt -142.29 141.51 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -139.9 119.01 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.5 p90 -123.83 174.77 7.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HG3' ' CG ' ' A' ' 14' ' ' HIS . 3.1 mmt180 -118.67 157.35 50.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.33 43.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.75 12.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -104.36 -28.23 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.9 10.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 20.0 m-85 -149.53 144.04 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.9 mt -103.61 122.77 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 83' ' ' VAL . 6.3 t -104.57 123.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 5.3 mt-10 -133.87 133.21 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 42.4 p90 -114.37 146.76 40.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.5 t -123.24 119.32 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.67 138.55 56.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -49.47 129.72 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.83 -30.01 9.05 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 34.3 t -81.1 154.34 26.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -117.29 11.44 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.33 117.2 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.543 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -81.76 119.25 23.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG13 ' HD2' ' A' ' 57' ' ' PRO . 57.6 t -88.49 141.48 30.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.556 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 115.28 4.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.56 75.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 13.2 p-10 -120.81 119.33 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -39.32 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 5.7 pt-20 -114.85 151.28 45.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.68 8.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.627 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.6 m -63.01 175.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.17 -39.69 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.55 172.31 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 3.9 m -94.81 57.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.6 151.12 9.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.627 ' CD1' HG11 ' A' ' 63' ' ' VAL . 84.5 t80 -157.56 169.89 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.0 m -128.56 123.22 32.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' THR . 23.6 t -90.84 153.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.48 174.82 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.53 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER 55.87 82.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 72' ' ' ASP . 6.6 mt -143.81 144.65 27.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.813 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.04 119.88 5.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.8 m -60.9 123.45 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.57 41.09 9.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.28 130.69 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.67 97.56 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.813 HD11 ' HD2' ' A' ' 74' ' ' PRO . 79.1 mt -107.07 135.06 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.1 mt -97.81 125.62 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.7 m-85 -102.06 138.5 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.543 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -137.5 146.78 44.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 45' ' ' VAL . 2.4 t -126.09 135.17 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.34 127.31 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.32 113.39 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.94 160.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 4.8 p-10 171.9 179.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.5 -41.05 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -61.31 -16.85 49.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.28 -109.47 2.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 163.18 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 p -119.42 172.21 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.0 mp0 -51.29 135.96 31.0 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 126.15 9.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.486 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.51 58.42 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -42.65 141.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 81' ' ' PHE . 8.2 mt -68.27 146.22 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.59 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.46 158.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 174.82 12.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 103' ' ' ILE . 45.7 t -119.95 132.47 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -18.89 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.51 ' H ' HG12 ' A' ' 101' ' ' VAL . 24.4 mm 62.36 100.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.574 ' H ' HG12 ' A' ' 20' ' ' VAL . 3.2 mtp180 -177.25 147.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 87' ' ' ASN . 5.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.74 137.35 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.16 156.55 1.81 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.95 152.13 40.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 1.7 pt20 -142.42 157.4 44.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 23.3 m-70 76.33 32.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 16.1 tp -88.78 111.4 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -137.9 170.37 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.518 HG11 ' CG2' ' A' ' 20' ' ' VAL . 52.0 t -94.24 110.52 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -74.61 -44.74 49.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.85 159.42 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 104' ' ' ARG . 55.7 t -137.02 131.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.23 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.24 -44.15 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -126.49 13.03 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.9 p -144.19 162.17 37.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.549 ' OG1' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -150.76 157.45 42.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 m -112.61 151.4 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 mt -142.41 139.56 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -135.59 116.81 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.707 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.9 p90 -122.78 175.3 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 107.992 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 2.3 mtp180 -118.47 159.02 45.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.5 42.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.14 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.037 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.58 -31.83 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.16 -156.99 27.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 19.0 m-85 -135.31 140.08 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.8 mt -100.75 123.82 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.734 HG22 HG22 ' A' ' 83' ' ' VAL . 28.4 t -100.35 130.97 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 11.0 mt-10 -143.07 140.79 31.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.6 p90 -122.53 147.44 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.3 t -123.37 115.99 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 HG12 ' A' ' 79' ' ' ILE . 2.2 mt -64.47 138.28 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.98 136.65 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.49 4.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 32.7 t -81.1 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.31 -1.27 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -95.26 133.08 39.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.508 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 77.5 m95 -100.07 113.2 25.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG13 ' HD2' ' A' ' 57' ' ' PRO . 62.0 t -85.61 141.39 36.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.549 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -74.64 -45.0 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.6 p-10 -120.51 123.46 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -53.35 -43.78 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.95 153.89 45.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.642 ' CB ' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.04 123.8 8.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.534 HG11 ' HD1' ' A' ' 68' ' ' PHE . 30.7 m -63.42 175.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -108.45 -37.7 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -85.23 165.3 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.536 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 15.8 m -90.42 69.14 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.21 148.66 6.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.534 ' HD1' HG11 ' A' ' 63' ' ' VAL . 74.7 t80 -160.52 164.07 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.1 m -125.83 120.38 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' THR . 13.6 t -86.15 154.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -137.78 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 73' ' ' LEU . 2.2 t70 54.35 81.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 72' ' ' ASP . 10.2 mt -143.97 146.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.731 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.05 120.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.9 m -64.25 118.67 8.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.63 40.61 6.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.7 129.09 47.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 86.6 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.731 HD11 ' HD2' ' A' ' 74' ' ' PRO . 59.8 mt -100.94 134.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 mt -99.76 125.42 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.572 ' HB2' HD12 ' A' ' 97' ' ' LEU . 38.6 m-85 -102.18 135.69 43.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.13 137.03 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.734 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -113.85 128.82 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 m -122.46 133.17 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -79.18 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.642 HG21 ' CB ' ' A' ' 62' ' ' PRO . 3.6 m -93.66 158.3 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.631 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 6.6 p30 -178.05 175.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -56.5 -25.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.631 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -75.24 -25.14 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.23 -109.03 1.08 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.22 168.72 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -125.76 173.34 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.13 135.63 15.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.69 15.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.428 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -87.79 50.92 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 m -38.68 143.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 81' ' ' PHE . 16.2 mt -67.69 145.26 54.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.06 -25.64 67.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -143.3 152.66 58.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.02 25.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.406 ' CG1' HD13 ' A' ' 103' ' ' ILE . 53.7 t -115.41 135.91 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.5 -24.76 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.442 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 38.2 mm 66.23 94.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.596 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 175.1 136.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.435 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -67.81 138.76 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -52.1 157.34 2.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 159.39 41.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.24 168.42 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.464 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 40.6 m-70 65.5 31.91 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 95' ' ' ALA . 22.3 tp -89.55 105.34 17.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -133.79 172.99 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 20' ' ' VAL . 79.2 t -96.89 117.03 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.67 -45.83 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.09 160.0 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 104' ' ' ARG . 59.4 t -138.11 128.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -159.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.35 -53.88 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -119.76 15.18 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -143.4 155.11 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.502 ' OG1' HG13 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -141.27 158.33 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.5 m -115.26 146.37 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 mt -134.84 156.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -153.49 114.8 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.634 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.9 p90 -120.94 -169.31 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 11.4 mtm180 -135.65 156.83 77.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.08 43.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.66 -28.21 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.89 -152.38 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 12.3 m-85 -135.76 141.55 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 44' ' ' LEU . 5.9 mt -97.71 133.87 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 83' ' ' VAL . 13.7 t -113.66 145.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -162.16 150.52 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 24.4 p90 -127.39 145.86 50.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 7.7 t -123.19 107.03 11.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.2 137.7 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.22 122.41 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.62 -26.61 22.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -81.24 151.72 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -113.93 5.94 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.6 117.12 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 68.6 m95 -79.34 117.26 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.588 HG13 ' HD2' ' A' ' 57' ' ' PRO . 95.0 t -85.16 141.73 37.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.01 126.88 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.35 -44.45 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 8.2 p-10 -121.18 110.86 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -46.1 -32.28 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.47 149.13 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.783 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.98 129.56 12.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.686 HG11 ' HD1' ' A' ' 68' ' ' PHE . 7.4 m -75.02 163.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.42 -33.75 10.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.33 -178.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 p -106.13 53.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.16 174.0 38.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.686 ' HD1' HG11 ' A' ' 63' ' ' VAL . 90.4 t80 -167.82 171.38 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.88 118.64 22.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' THR . 38.1 t -87.58 154.51 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 171.39 14.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.511 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.9 OUTLIER 60.57 77.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.5 mt -143.4 144.77 29.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.758 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.0 120.3 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 m -62.71 120.16 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.47 40.03 7.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.98 131.27 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -77.17 98.47 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.758 HD11 ' HD2' ' A' ' 74' ' ' PRO . 71.4 mt -111.59 140.87 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.12 134.94 45.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HB2' HD12 ' A' ' 97' ' ' LEU . 30.4 m-85 -115.17 134.22 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 45.9 ptt85 -134.76 138.96 44.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.634 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.4 t -113.49 139.64 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 92' ' ' SER . 1.1 m -138.22 129.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.68 127.56 9.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.783 HG21 ' HG3' ' A' ' 62' ' ' PRO . 14.5 m -97.11 155.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.7 p-10 175.44 174.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -48.5 -43.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.8 -31.18 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 124.69 -121.39 4.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 158.39 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 84' ' ' VAL . 87.9 p -113.77 169.38 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 15.1 mt-10 -47.27 133.25 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.08 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.586 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -79.31 57.08 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -38.08 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.2 mt -81.71 141.38 33.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.79 -37.51 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -143.46 158.44 57.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.74 17.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 103' ' ' ILE . 31.1 t -115.89 135.8 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -22.47 51.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.435 ' H ' HG12 ' A' ' 101' ' ' VAL . 31.8 mm 66.06 95.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.612 ' H ' HG12 ' A' ' 20' ' ' VAL . 9.2 ttt180 -179.89 138.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.99 134.14 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -50.29 163.42 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.99 163.44 35.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -153.82 165.66 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 62.2 m-70 65.52 29.86 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.631 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 95' ' ' ALA . 24.9 tp -86.56 106.17 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -135.72 174.44 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 20' ' ' VAL . 78.7 t -97.97 113.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -78.41 -47.64 17.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -143.26 169.4 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG23 ' CG1' ' A' ' 17' ' ' VAL . 15.7 t -149.86 123.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -157.94 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 -32.19 14.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 24' ' ' THR . 2.3 p -138.33 21.18 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' THR . 1.2 p -154.07 143.96 21.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 81' ' ' PHE . 3.2 m -131.73 149.88 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -111.83 139.56 47.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' HD11 ' A' ' 97' ' ' LEU . 10.1 mt -131.28 151.14 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.9 119.97 9.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.578 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 11.8 p90 -126.39 173.88 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.054 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 1.7 mmp_? -115.84 155.46 47.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.21 42.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.6 -29.39 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.38 -157.18 28.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD1' ' CA ' ' A' ' 85' ' ' GLY . 6.7 m-85 -138.84 143.0 38.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.6 mt -96.46 148.87 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.759 HG22 HG22 ' A' ' 83' ' ' VAL . 21.5 t -127.17 134.34 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -150.76 142.1 23.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.7 p90 -118.68 145.17 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 6.9 t -123.05 117.11 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 79' ' ' ILE . 1.5 mt -64.72 137.55 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.64 118.37 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.01 -25.2 23.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -80.97 155.15 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.58 11.96 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.14 123.66 41.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 89.4 m95 -87.12 120.19 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' HD2' ' A' ' 57' ' ' PRO . 96.7 t -84.65 141.88 39.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.8 p-10 -121.24 111.94 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -47.26 -32.79 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -126.14 156.95 71.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.97 146.14 32.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.5 m -93.82 154.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.9 pt-20 -85.73 -34.71 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 2.9 ptt180 -75.23 169.65 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 3.6 m -97.32 62.8 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 108.316 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.89 169.04 33.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 77.5 t80 -170.95 173.67 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.431 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -125.0 121.48 34.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG12 HD11 ' A' ' 73' ' ' LEU . 52.5 t -95.48 115.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -104.57 173.41 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.641 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.3 OUTLIER 62.38 78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.0 mt -146.69 145.47 23.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.598 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.05 126.01 9.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.4 m -67.1 124.07 22.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.41 44.73 7.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' THR . . . -133.19 130.16 38.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 99.49 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.598 HD11 ' HD2' ' A' ' 74' ' ' PRO . 54.0 mt -117.93 142.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 100' ' ' PRO . 32.3 mt -100.79 151.03 22.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 97' ' ' LEU . 24.7 m-85 -129.05 127.9 42.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -130.51 141.05 50.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.759 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -115.5 129.09 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.761 HG12 ' O ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.17 126.68 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 43' ' ' TYR . . . -76.52 123.59 6.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.564 HG21 ' HG3' ' A' ' 62' ' ' PRO . 16.5 m -96.89 160.56 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.732 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 3.5 p-10 172.9 -177.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.06 -43.47 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.732 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -63.3 -22.23 66.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 113.44 -141.46 16.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -96.17 164.72 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.761 ' O ' HG12 ' A' ' 84' ' ' VAL . 4.7 p -122.76 170.88 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.65 134.97 19.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.0 Cg_endo -75.03 121.99 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.608 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.22 53.62 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -38.55 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.6 mt -75.17 141.08 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.65 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -148.97 150.49 32.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.592 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.5 t -125.73 134.55 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -78.31 -21.94 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.436 HD11 ' HZ ' ' A' ' 81' ' ' PHE . 20.9 mm 64.55 97.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 179.67 139.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.58 128.08 34.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -45.85 162.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 163.23 35.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.92 166.22 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 65.64 35.19 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 95' ' ' ALA . 26.4 tp -88.33 108.19 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.44 169.62 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.578 HG11 ' CG2' ' A' ' 20' ' ' VAL . 75.8 t -92.34 121.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.14 -41.73 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -153.31 151.16 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 104' ' ' ARG . 94.3 t -130.73 124.34 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -159.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 103' ' ' ILE . 1.7 m-20 -79.97 -61.0 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -116.4 19.52 14.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.3 p -147.21 152.19 37.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 26' ' ' THR . 1.2 m -140.96 164.34 30.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 25' ' ' THR . 30.7 m -119.67 152.13 37.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.7 mt -140.87 151.47 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.56 121.68 10.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.678 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -127.58 -172.6 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 107.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.87 152.24 78.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.68 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -28.12 11.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 -132.85 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.8 m-85 -149.33 141.61 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.8 mt -105.48 117.06 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.87 HG22 HG22 ' A' ' 83' ' ' VAL . 16.3 t -98.1 136.35 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 15.2 mt-10 -150.19 136.84 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 38.5 p90 -114.99 146.02 41.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.4 t -123.13 111.15 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.479 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -56.03 137.37 51.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 118.78 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.73 -24.66 21.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -83.0 154.56 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -114.1 12.91 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.66 126.28 45.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.58 ' CE3' ' CD ' ' A' ' 82' ' ' ARG . 80.0 m95 -87.26 119.99 28.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.606 HG13 ' HD2' ' A' ' 57' ' ' PRO . 88.1 t -84.83 142.02 38.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.606 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.09 118.61 5.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.15 -42.35 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.0 p-10 -121.0 114.29 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -31.92 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -125.62 157.03 69.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.03 136.71 20.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.9 m -81.98 173.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 7.1 pt-20 -107.48 -33.79 7.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 14.8 ptp180 -70.12 -178.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.7 p -104.47 56.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.02 -176.24 43.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CD1' HG11 ' A' ' 63' ' ' VAL . 79.6 t80 -174.61 166.46 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -128.88 123.41 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' THR . 11.5 t -90.79 154.85 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.21 169.22 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.23 76.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.37 147.09 56.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.96 119.58 5.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -62.59 118.22 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.35 5.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.03 135.16 43.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 99.37 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' A' ' 74' ' ' PRO . 30.2 mt -117.68 145.45 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 100' ' ' PRO . 22.9 mt -107.07 145.51 32.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.675 ' HB2' HD12 ' A' ' 97' ' ' LEU . 34.4 m-85 -119.77 128.0 53.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.58 ' CD ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -124.76 144.81 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.87 HG22 HG22 ' A' ' 45' ' ' VAL . 2.4 t -123.11 130.73 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.1 130.29 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 120.69 5.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 62' ' ' PRO . 4.1 m -95.22 156.58 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 177.15 -175.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 89' ' ' ALA . 1.3 tt -49.35 -47.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 88' ' ' ILE . . . -50.75 -47.11 59.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.49 -101.01 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.73 150.57 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 p -108.24 175.07 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.78 136.86 78.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.24 8.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.65 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.68 58.17 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -41.03 139.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 81' ' ' PHE . 10.8 mt -62.98 157.93 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.99 -36.85 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 14.5 pt20 -141.82 158.79 61.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.97 173.13 15.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 103' ' ' ILE . 35.1 t -120.27 135.13 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -19.96 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 22' ' ' ASP . 26.3 mm 65.76 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.589 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -174.82 147.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 p -63.92 133.26 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -45.73 165.12 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.98 165.4 31.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.68 170.72 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 64.7 m-70 62.63 30.13 16.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.62 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 8.7 tp -89.05 111.77 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -142.93 170.94 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -90.18 116.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -82.56 -48.84 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -145.82 161.27 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 104' ' ' ARG . 82.2 t -142.93 142.04 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -157.88 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.97 -38.86 16.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -134.83 23.51 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 2.4 p -151.21 155.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.47 HG23 HG22 ' A' ' 20' ' ' VAL . 3.9 m -145.05 160.63 41.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.0 m -121.86 143.55 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -133.64 142.21 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -138.75 117.09 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.627 ' CE3' HG21 ' A' ' 83' ' ' VAL . 10.7 p90 -119.69 179.37 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 3.9 mmt180 -120.79 154.01 57.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.35 42.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.43 -32.56 6.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.14 -138.73 4.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -150.03 141.01 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.9 mt -100.36 127.54 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 83' ' ' VAL . 3.7 t -107.81 133.37 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 22.4 mt-10 -144.84 134.17 23.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.5 p90 -115.76 146.26 42.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.7 t -123.41 119.96 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 79' ' ' ILE . 2.2 mt -67.47 137.32 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 123.5 6.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.76 -28.69 14.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -80.83 152.85 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.44 11.67 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -117.73 104.33 10.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.4 m95 -67.1 121.7 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.548 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.3 t -89.05 141.41 29.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 114.97 4.15 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.09 -43.66 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 26.0 p-10 -121.16 111.15 17.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.32 -31.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 2.0 mm-40 -128.73 157.05 76.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.02 130.01 12.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.668 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.0 m -67.04 175.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.49 -40.06 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.78 178.17 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 25.1 p -99.77 44.17 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.07 8.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.668 ' CD1' HG11 ' A' ' 63' ' ' VAL . 63.7 t80 -148.55 173.3 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.67 124.18 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.568 HG12 HD21 ' A' ' 73' ' ' LEU . 22.6 t -98.73 121.68 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -112.93 178.36 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.88 76.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD21 HG12 ' A' ' 70' ' ' VAL . 6.3 mt -139.5 145.54 44.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.733 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.01 119.51 5.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -59.46 115.89 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 50.84 3.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.43 131.05 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.54 87.19 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.733 HD11 ' HD2' ' A' ' 74' ' ' PRO . 33.9 mt -100.61 139.82 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.3 mt -102.68 126.29 49.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.72 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.0 m-85 -101.95 141.15 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -140.08 147.45 40.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.627 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -126.23 136.14 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.85 127.95 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.14 110.65 3.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.679 HG21 ' HG3' ' A' ' 62' ' ' PRO . 30.8 m -82.99 160.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 7.5 p-10 179.39 173.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -47.04 -44.09 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.69 -39.43 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' VAL . . . 139.47 -107.49 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.8 165.72 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.356 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 p -121.1 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 17.0 mp0 -50.81 132.85 28.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.55 59.52 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 144.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 81' ' ' PHE . 9.3 mt -68.83 149.06 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -34.77 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.17 158.45 48.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 103' ' ' ILE . 23.6 t -113.2 139.3 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -23.24 37.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.428 HD13 ' CG1' ' A' ' 101' ' ' VAL . 30.1 mm 67.44 99.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.518 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER 176.74 150.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 133.16 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -46.51 159.59 0.35 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.58 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.99 159.36 41.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.95 168.37 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 65.54 33.21 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.3 tp -91.15 115.4 27.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -145.55 172.36 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 20' ' ' VAL . 65.5 t -94.76 113.68 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -149.96 154.47 38.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 104' ' ' ARG . 80.5 t -132.31 135.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -157.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.78 -35.41 13.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -132.96 10.43 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.664 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.9 p -142.27 162.49 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.7 m -148.53 150.93 34.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -108.39 149.62 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.38 150.86 45.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.19 114.83 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.635 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.2 p90 -122.75 -179.68 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.88 154.84 80.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.57 41.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 175.4 11.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -103.8 -32.23 9.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.64 -143.25 7.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -141.59 143.48 33.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.9 mt -104.26 114.79 29.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 83' ' ' VAL . 34.1 t -95.21 128.38 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 9.8 mt-10 -138.85 140.63 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.7 p90 -124.81 146.83 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.4 t -123.07 117.94 26.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.06 135.35 52.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.89 -29.96 10.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.098 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -80.78 150.59 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 14.23 16.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.71 116.47 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.494 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 65.4 m95 -78.15 117.93 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 66.2 t -87.87 141.45 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 117.0 4.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.61 -44.87 66.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 p-10 -121.11 114.81 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -48.37 -45.41 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.04 155.2 43.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.43 17.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 68' ' ' PHE . 17.6 m -76.7 179.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -109.76 -43.11 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.52 154.72 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 35.3 m -81.49 55.54 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.11 145.16 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.549 ' CD1' HG11 ' A' ' 63' ' ' VAL . 67.5 t80 -154.45 168.15 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.0 m -133.69 114.72 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' THR . 15.0 t -83.26 153.45 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -134.99 172.27 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.577 ' O ' HD23 ' A' ' 73' ' ' LEU . 33.8 t0 58.14 83.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 72' ' ' ASP . 20.0 mt -144.65 145.37 28.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.766 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -74.99 119.46 5.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -61.96 120.01 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.43 6.31 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.94 127.76 42.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 0.819 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.79 84.58 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.766 HD11 ' HD2' ' A' ' 74' ' ' PRO . 73.1 mt -95.91 133.84 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.38 123.66 44.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.689 ' HB2' HD12 ' A' ' 97' ' ' LEU . 51.6 m-85 -102.06 135.71 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 47.0 ptt85 -136.05 134.95 38.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -111.18 138.49 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 92' ' ' SER . 1.6 m -137.2 136.82 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.22 122.73 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.424 HG11 HD12 ' A' ' 44' ' ' LEU . 12.3 m -97.1 157.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.573 HD21 ' HB3' ' A' ' 89' ' ' ALA . 25.1 p-10 177.14 -173.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 tt -57.35 -42.82 81.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.573 ' HB3' HD21 ' A' ' 87' ' ' ASN . . . -56.06 -43.25 77.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.95 -105.1 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 160.44 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 84' ' ' VAL . 86.7 p -117.39 167.64 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.4 mm-40 -47.67 133.53 10.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.32 55.29 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -38.55 141.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' A' ' 81' ' ' PHE . 11.0 mt -65.0 143.99 57.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.92 -31.55 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -148.77 158.69 39.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.55 14.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 103' ' ' ILE . 38.7 t -120.46 134.85 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -22.07 55.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 101' ' ' VAL . 30.5 mm 66.55 94.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.482 ' H ' HG12 ' A' ' 20' ' ' VAL . 14.8 ttt180 -177.47 140.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.39 143.11 57.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -58.95 162.52 6.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.597 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 158.32 42.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.808 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.64 166.36 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 65.02 36.49 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 29' ' ' TRP . 18.1 tp -91.86 114.7 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.6 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.403 HG11 ' CG2' ' A' ' 20' ' ' VAL . 53.3 t -95.2 112.19 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.06 -51.08 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.64 160.31 40.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 104' ' ' ARG . 84.4 t -141.88 131.46 23.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -157.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -89.77 -36.11 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -131.79 8.94 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.0 p -141.69 161.3 38.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.446 ' OG1' HG13 ' A' ' 20' ' ' VAL . 1.2 m -148.53 146.64 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.3 m -101.86 146.94 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -134.67 155.02 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.34 120.32 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.798 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.5 p90 -128.41 178.69 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -122.66 153.76 63.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 159.63 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.27 11.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.579 1.831 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.99 -35.22 9.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.06 -161.97 35.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.6 m-85 -128.2 140.89 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.6 mt -104.21 119.23 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.748 HG22 HG22 ' A' ' 83' ' ' VAL . 39.1 t -96.22 126.8 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' NH1' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -137.67 140.49 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.452 ' CZ ' ' HB ' ' A' ' 56' ' ' VAL . 51.0 p90 -121.03 148.82 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.7 t -123.15 115.52 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD23 HG12 ' A' ' 79' ' ' ILE . 2.7 mt -62.34 138.08 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 130.75 27.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.25 5.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 3.5 t -80.89 156.27 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -118.06 15.53 14.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -113.05 117.17 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.227 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.0 m95 -85.35 112.38 20.77 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG13 ' HD2' ' A' ' 57' ' ' PRO . 58.5 t -86.0 141.35 35.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.556 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.03 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.58 91.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 30.6 p-10 -120.29 115.4 23.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -39.54 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.5 151.5 48.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.583 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.04 132.4 15.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.535 HG13 HD22 ' A' ' 59' ' ' ASN . 2.7 m -79.01 166.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.06 -39.38 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -68.68 166.83 16.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.445 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -92.45 65.43 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 108.294 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.17 169.1 28.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 75.9 t80 -167.29 171.73 10.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.38 115.54 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' THR . 27.8 t -82.82 154.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.621 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -138.92 173.71 11.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.491 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER 53.93 81.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 72' ' ' ASP . 13.7 mt -141.03 146.97 45.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.702 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.0 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.468 HG22 HH11 ' A' ' 104' ' ' ARG . 52.8 m -61.71 116.85 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.425 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.57 46.9 4.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.36 129.87 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.0 92.39 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.702 HD11 ' HD2' ' A' ' 74' ' ' PRO . 70.8 mt -105.41 140.46 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 18.7 mt -104.82 129.07 53.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.88 148.14 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -145.4 140.88 27.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.798 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -118.56 128.29 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -127.93 126.83 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.72 111.22 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.583 HG21 ' HG3' ' A' ' 62' ' ' PRO . 17.4 m -82.07 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.9 p30 -173.16 174.22 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.88 -31.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -73.66 -23.91 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 123.01 -138.2 11.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 169.67 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 84' ' ' VAL . 15.7 p -128.99 166.28 19.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.0 mm-40 -41.7 128.61 2.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.97 124.03 8.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.427 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.83 52.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -40.72 145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 97' ' ' LEU . 12.8 mt -69.75 150.69 46.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.06 -23.38 58.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -142.79 149.07 48.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.511 ' CG1' HD13 ' A' ' 103' ' ' ILE . 37.9 t -120.11 133.97 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -22.63 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.511 HD13 ' CG1' ' A' ' 101' ' ' VAL . 28.8 mm 67.23 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.512 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -177.68 146.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.293 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 130.5 42.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -44.05 159.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 158.1 42.32 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.1 161.18 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CD2' HH21 ' A' ' 30' ' ' ARG . 83.0 m-70 65.16 44.82 3.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.9 tp -97.6 108.19 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -134.81 172.46 12.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 20' ' ' VAL . 59.2 t -93.91 111.67 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 28' ' ' LYS . 68.8 mm-40 -73.4 -50.3 22.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.47 161.84 38.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 17' ' ' VAL . 54.8 t -137.0 128.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.53 -157.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -95.2 -42.52 8.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 p -123.29 11.1 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.3 p -145.24 169.91 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.454 HG21 ' CE2' ' A' ' 81' ' ' PHE . 1.5 m -154.48 146.51 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.1 m -104.33 144.45 31.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.13 142.46 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 18' ' ' GLU . 6.0 tttt -137.2 129.5 29.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.714 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.7 p90 -133.2 -177.23 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.468 HH21 ' CD2' ' A' ' 14' ' ' HIS . 12.6 mtm180 -127.89 154.13 78.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 157.95 42.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.44 9.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.5 -31.4 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.19 -144.7 9.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 49.5 m-85 -144.43 149.46 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 44' ' ' LEU . 12.1 mt -110.43 109.75 20.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 83' ' ' VAL . 14.7 t -88.84 130.41 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 11.6 mt-10 -143.46 142.64 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 35.0 p90 -122.99 146.6 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 12.2 t -123.18 112.28 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.06 138.59 57.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.17 112.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.04 15.34 20.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -118.42 149.53 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.22 10.56 21.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.39 119.42 28.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.8 m95 -81.94 119.18 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.4 t -86.33 141.38 34.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.543 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 124.79 8.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.6 -43.95 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.9 p-10 -121.16 118.09 28.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -51.95 -48.23 64.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -108.48 157.77 35.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.629 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.01 129.18 12.08 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.741 HG11 ' CD1' ' A' ' 68' ' ' PHE . 16.8 m -73.94 168.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.99 -34.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.24 174.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.45 43.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.59 170.51 39.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.741 ' CD1' HG11 ' A' ' 63' ' ' VAL . 83.6 t80 -159.28 172.66 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.8 m -131.34 118.24 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.64 151.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.514 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.3 OUTLIER -130.76 170.05 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.717 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.2 OUTLIER 57.3 90.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 72' ' ' ASP . 17.7 mt -149.77 144.26 17.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.755 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 119.06 5.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.8 m -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA2' HG23 ' A' ' 102' ' ' THR . . . 87.43 50.75 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -137.82 130.89 30.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -71.97 98.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.755 HD11 ' HD2' ' A' ' 74' ' ' PRO . 65.6 mt -113.11 129.72 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 100' ' ' PRO . 30.3 mt -98.04 127.07 43.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.696 ' HB2' HD12 ' A' ' 97' ' ' LEU . 43.0 m-85 -103.77 129.75 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -128.13 135.6 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.714 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 t -112.95 133.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.1 127.86 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -75.58 124.52 7.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -99.06 156.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 176.36 177.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -46.54 -45.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.85 -44.6 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.78 -105.41 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -134.35 164.44 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.773 . . . . 0.0 110.304 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.8 p -122.93 173.27 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 66.7 mt-10 -53.02 135.24 48.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.97 6.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.704 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -77.14 58.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -44.17 138.09 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.0 mt -65.17 150.32 48.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.68 -39.42 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.44 158.53 68.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.99 173.25 14.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 103' ' ' ILE . 38.5 t -118.28 134.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.402 HG23 ' HA2' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -77.78 -20.73 52.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.383 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 101' ' ' VAL . 24.1 mm 65.84 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -179.97 145.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 138.64 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -46.13 159.4 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.01 159.58 41.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.53 164.68 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 68.88 34.29 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.6 tp -89.8 113.97 25.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -143.05 167.13 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.513 HG11 ' CG2' ' A' ' 20' ' ' VAL . 74.9 t -89.35 119.24 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 26.6 mm-40 -85.92 -46.7 10.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -146.69 153.91 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 104' ' ' ARG . 80.9 t -134.36 125.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -157.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -46.56 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 p -125.76 11.06 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.1 p -141.99 155.33 45.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -143.95 160.45 40.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.5 m -117.08 145.73 43.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -134.1 149.87 51.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -142.5 116.4 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.864 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -122.39 177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -125.66 156.97 70.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.34 39.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.12 -24.8 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 86' ' ' VAL . . . 162.47 -173.16 38.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 30.7 m-85 -125.44 144.1 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.744 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.4 mt -106.0 119.86 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 83' ' ' VAL . 4.5 t -95.79 135.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 12.7 mt-10 -150.92 149.47 29.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 48.1 p90 -129.64 150.07 51.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 t -123.17 116.88 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -63.57 136.67 57.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.09 116.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.67 -24.24 22.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.112 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -81.09 157.8 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -120.67 13.45 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -127.14 126.54 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 85.6 m95 -84.61 123.81 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG13 ' HD2' ' A' ' 57' ' ' PRO . 37.2 t -85.86 137.63 35.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.03 111.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.41 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.611 HD22 HG13 ' A' ' 63' ' ' VAL . 10.4 p-10 -121.01 119.39 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -29.8 61.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.0 153.82 64.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.99 138.07 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.64 HG11 ' CD1' ' A' ' 68' ' ' PHE . 14.5 m -83.59 175.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 12.9 pt-20 -108.52 -43.65 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 3.0 mpp_? -62.32 -179.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -104.64 53.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.84 169.09 35.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.64 ' CD1' HG11 ' A' ' 63' ' ' VAL . 80.2 t80 -164.66 165.29 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.28 127.65 52.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 24' ' ' THR . 47.8 t -95.29 154.71 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -139.97 171.44 14.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 58.84 73.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.19 146.85 56.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.62 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.95 119.48 5.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.6 m -63.99 121.11 13.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 45.22 6.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.72 131.78 38.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.05 98.82 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.62 HD11 ' HD2' ' A' ' 74' ' ' PRO . 61.0 mt -114.4 142.15 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 100' ' ' PRO . 31.5 mt -100.53 141.96 32.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.65 ' HB2' HD12 ' A' ' 97' ' ' LEU . 27.8 m-85 -116.91 131.72 56.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -131.55 140.79 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.864 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.2 t -119.77 126.29 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -123.05 126.61 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.542 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.58 115.47 4.27 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 42' ' ' GLY . 10.4 m -84.89 158.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 5.9 p30 -176.32 171.88 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.58 -30.4 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -73.68 -19.69 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 121.54 -138.74 12.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -108.49 161.66 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.27 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.604 ' O ' HG12 ' A' ' 84' ' ' VAL . 26.4 p -113.99 179.0 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 5.9 mt-10 -57.98 136.19 83.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.618 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.02 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.537 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -78.33 57.1 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 m -43.68 148.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.65 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.5 mt -74.12 142.3 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.55 -24.21 67.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -144.04 148.09 40.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.45 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.03 174.68 12.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 103' ' ' ILE . 39.4 t -121.8 131.65 72.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.0 -18.29 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.451 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.7 mm 64.04 100.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.559 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -170.72 147.06 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 139.23 58.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.48 159.31 0.89 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.663 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 153.6 41.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -137.82 166.44 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 59.38 42.95 17.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 95' ' ' ALA . 38.6 tp -94.96 104.52 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.66 174.18 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 t -99.43 107.43 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 30.1 mm-40 -70.18 -56.51 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -138.46 173.97 11.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 19' ' ' ASP . 3.0 t -152.63 132.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -162.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.46 -37.06 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -127.27 5.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 71' ' ' LYS . 3.2 p -142.57 166.18 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 HG23 HG22 ' A' ' 20' ' ' VAL . 1.2 m -153.94 144.23 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.1 m -99.44 149.56 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -138.71 158.53 44.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.3 tttt -153.2 125.95 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.8 p90 -133.36 178.44 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -116.81 154.73 49.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 153.33 41.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -75.06 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 -33.19 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.6 -143.96 11.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 92.3 m-85 -140.41 151.8 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 84' ' ' VAL . 15.6 mt -112.53 107.25 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.916 HG22 HG22 ' A' ' 83' ' ' VAL . 15.7 t -88.91 117.87 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 6.7 mt-10 -126.81 143.98 51.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.1 p90 -124.48 145.64 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 53.0 t -123.24 117.73 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -65.44 136.3 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.33 129.46 15.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.8 -30.67 8.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.7 t -80.99 152.33 28.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.14 14.09 16.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -117.31 120.05 37.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 66.9 m95 -84.51 116.57 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.5 t -86.99 141.64 33.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -64.42 -46.23 84.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.9 p-10 -120.96 122.51 40.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -53.96 -43.83 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -108.62 156.18 39.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.625 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 68' ' ' PHE . 26.9 m -74.39 172.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.83 -33.81 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 169.54 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 17.6 p -91.88 47.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.07 178.65 48.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 63' ' ' VAL . 89.0 t80 -171.09 171.45 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.66 110.71 11.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.89 154.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -137.22 171.13 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 73' ' ' LEU . 55.6 m-20 52.7 84.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 72' ' ' ASP . 11.0 mt -144.09 144.25 25.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.848 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.05 119.77 5.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -61.75 118.14 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.38 42.53 5.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.85 129.17 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 90.6 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.848 HD11 ' HD2' ' A' ' 74' ' ' PRO . 63.7 mt -102.68 137.76 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 24.2 mt -103.65 125.67 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.635 ' HB2' HD12 ' A' ' 97' ' ' LEU . 41.9 m-85 -102.34 135.44 43.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HD2' ' CB ' ' A' ' 94' ' ' PRO . 47.4 ptt85 -136.76 134.62 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.916 HG22 HG22 ' A' ' 45' ' ' VAL . 3.4 t -110.94 133.06 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 44' ' ' LEU . 3.0 m -126.92 134.01 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.63 117.36 4.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.625 HG21 ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -96.93 158.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.434 HD21 ' HB3' ' A' ' 89' ' ' ALA . 30.2 p-10 177.16 -177.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.3 -40.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 87' ' ' ASN . . . -56.77 -46.47 81.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.46 -105.53 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -136.11 167.47 21.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -129.25 170.51 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.98 134.81 28.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.435 ' CB ' ' HD2' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.05 127.06 10.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.661 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.06 54.35 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -40.06 145.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 81' ' ' PHE . 15.2 mt -70.95 147.17 48.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.42 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -143.29 150.38 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.1 t -119.21 134.55 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -23.48 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.402 ' H ' HG12 ' A' ' 101' ' ' VAL . 26.0 mm 65.45 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -179.87 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.89 155.22 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.74 116.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 125.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 158.62 23.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.771 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -133.69 128.27 34.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.21 157.34 25.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.73 28.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.432 1.754 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p -49.29 175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 132.27 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -45.28 161.35 0.24 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.95 158.27 42.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.83 167.61 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 64.67 34.4 9.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.626 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 95' ' ' ALA . 11.4 tp -92.66 110.41 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -139.59 171.16 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' CG1' HG23 ' A' ' 20' ' ' VAL . 51.9 t -91.42 112.09 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -77.52 -55.14 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -138.25 165.96 25.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.743 HG22 HG23 ' A' ' 25' ' ' THR . 9.2 t -145.51 129.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -157.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.88 -50.3 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -124.65 19.95 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.2 p -146.91 149.95 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.743 HG23 HG22 ' A' ' 20' ' ' VAL . 93.1 m -139.32 155.58 47.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -114.92 145.56 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.5 mt -136.63 141.47 43.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.07 122.51 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.7 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -128.48 179.45 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -123.43 154.63 66.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.94 39.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.06 15.17 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -107.4 -33.24 7.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -96.43 80.98 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -104.61 -63.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.81 -150.23 42.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.91 151.68 44.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.53 -61.87 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.13 145.94 5.53 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.1 tt -73.92 141.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.16 -44.24 30.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.96 6.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 27.6 m-85 -149.28 142.96 25.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.16 115.81 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 83' ' ' VAL . 3.2 t -96.82 125.06 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.6 mt-10 -135.57 136.92 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.4 p90 -119.21 146.35 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.1 t -123.23 116.62 23.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 108.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -64.77 137.31 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.3 127.51 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.81 10.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 t -80.9 156.85 25.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -120.55 13.54 11.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -117.45 117.35 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 77.5 m95 -81.47 113.58 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG13 ' HD2' ' A' ' 57' ' ' PRO . 99.1 t -84.52 141.7 39.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.54 1.811 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.77 78.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 9.0 p-10 -120.85 113.45 20.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -50.74 6.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -105.72 151.31 39.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.0 122.55 7.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG11 ' CD1' ' A' ' 68' ' ' PHE . 24.2 m -61.51 173.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.2 pt-20 -106.36 -36.27 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -79.53 165.97 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -90.82 52.43 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.16 146.94 7.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD1' HG11 ' A' ' 63' ' ' VAL . 89.4 t80 -152.89 172.05 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.46 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.2 m -130.66 118.33 20.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' THR . 27.0 t -90.33 132.23 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' HG22 ' A' ' 24' ' ' THR . 5.5 ptpt -117.56 172.83 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.586 ' O ' HD23 ' A' ' 73' ' ' LEU . 2.0 t70 59.84 84.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 72' ' ' ASP . 12.9 mt -146.42 145.83 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.711 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.07 119.23 5.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.4 m -61.98 116.63 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.47 44.93 4.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.57 130.38 42.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 86.69 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.711 HD11 ' HD2' ' A' ' 74' ' ' PRO . 52.4 mt -99.71 137.46 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -101.21 127.83 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.667 ' HB2' HD12 ' A' ' 97' ' ' LEU . 23.7 m-85 -103.28 142.27 34.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -141.81 140.31 32.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.7 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 t -119.3 130.71 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.1 m -128.13 127.98 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.62 119.65 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 90' ' ' GLY . 4.8 m -90.64 159.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.67 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 9.1 p30 -175.97 170.88 2.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -51.95 -28.24 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.67 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -72.9 -30.11 63.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 134.74 -113.39 1.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.117 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -131.06 164.61 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.2 p -117.43 175.95 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -53.62 137.12 53.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.429 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.3 Cg_endo -74.96 125.45 9.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.581 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.7 52.86 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 m -38.72 147.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 81' ' ' PHE . 11.7 mt -75.82 142.54 42.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.61 -29.19 70.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -141.09 148.71 52.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.526 ' CG1' HD13 ' A' ' 103' ' ' ILE . 45.0 t -116.01 134.71 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.08 -25.04 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.526 HD13 ' CG1' ' A' ' 101' ' ' VAL . 29.5 mm 67.25 101.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.506 ' O ' HG12 ' A' ' 20' ' ' VAL . 3.8 mtt180 -178.82 148.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.4 129.59 44.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 111.54 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -99.03 178.43 30.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.36 16.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.0 m -158.23 159.57 36.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.37 89.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 109.974 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.84 86.3 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.734 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.06 155.32 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.27 141.5 5.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -105.76 138.36 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -119.24 130.6 55.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.18 -143.38 7.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.38 26.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 35' ' ' ILE . 69.5 p -45.72 166.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 135.13 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -47.88 163.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.1 Cg_endo -75.04 161.44 38.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.85 169.07 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 63.89 35.51 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 95' ' ' ALA . 27.4 tp -89.66 114.4 26.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -142.47 174.84 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.424 HG11 ' CG2' ' A' ' 20' ' ' VAL . 41.5 t -100.64 107.93 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 32.1 mm-40 -70.87 -48.78 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -146.64 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' CG2' HG11 ' A' ' 17' ' ' VAL . 53.4 t -139.43 142.48 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -159.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.9 -49.47 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 p -123.4 14.48 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.5 p -141.84 167.57 21.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -156.56 152.24 27.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.7 m -107.98 150.58 26.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -137.89 156.16 48.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -151.35 118.51 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.8 p90 -125.74 -177.11 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 154.76 81.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.9 42.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.581 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -27.57 11.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.5 75.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.581 HD13 ' HG2' ' A' ' 32' ' ' PRO . 31.8 mm -67.47 -58.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.59 -77.22 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.44 1.088 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.66 164.3 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.17 -38.04 1.72 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.87 139.8 2.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.82 138.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -48.67 68.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.39 -149.57 10.28 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 21.0 m-85 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD12 HG11 ' A' ' 86' ' ' VAL . 9.6 mt -101.42 120.51 40.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 83' ' ' VAL . 21.0 t -97.97 131.7 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 7.6 mt-10 -141.97 141.39 32.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.4 p90 -122.49 145.64 48.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 43.2 t -123.29 116.2 22.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.11 134.63 53.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.92 121.51 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.44 -27.12 20.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 22.2 t -81.14 150.56 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -114.95 15.09 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.91 116.3 21.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 59.4 m95 -79.09 118.43 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.577 HG13 ' HD2' ' A' ' 57' ' ' PRO . 82.8 t -87.01 141.63 33.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.577 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 111.93 3.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.58 85.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 25.1 p-10 -120.83 118.96 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -51.2 -48.19 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 152.39 42.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.41 19.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 68' ' ' PHE . 31.4 m -74.37 -175.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.17 -42.31 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.06 165.47 24.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.451 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 29.4 p -89.27 52.56 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.5 149.48 10.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 63' ' ' VAL . 80.1 t80 -157.69 171.41 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -134.6 124.78 25.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' THR . 5.0 t -92.22 153.9 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.696 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -135.18 175.59 9.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER 55.49 80.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.8 mt -142.48 145.28 34.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.703 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.0 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.6 m -62.22 121.84 14.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.01 45.81 6.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.31 131.11 41.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.43 97.83 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.703 HD11 ' HD2' ' A' ' 74' ' ' PRO . 70.2 mt -112.97 137.84 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.0 mt -103.9 126.41 51.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.4 m-85 -102.58 130.86 49.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -130.64 135.18 47.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.255 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 45' ' ' VAL . 2.3 t -111.85 137.17 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 92' ' ' SER . 1.4 m -133.34 134.32 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.16 114.62 3.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.5 HG11 HD12 ' A' ' 44' ' ' LEU . 19.3 m -85.85 160.61 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 6.1 p-10 177.44 173.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -49.37 -42.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.8 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 130.34 -111.83 1.19 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.27 165.26 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 84' ' ' VAL . 70.6 p -117.94 166.02 13.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.26 135.59 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.68 11.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.612 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -86.61 55.75 3.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 m -42.71 143.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD12 ' HB2' ' A' ' 81' ' ' PHE . 16.3 mt -70.71 141.55 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.73 -35.02 75.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -135.41 151.3 74.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 103' ' ' ILE . 42.1 t -121.35 134.28 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.02 -21.14 47.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.421 ' H ' HG12 ' A' ' 101' ' ' VAL . 28.1 mm 64.79 100.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -178.88 145.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.2 176.94 6.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 95.0 p -132.28 143.34 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.39 102.54 2.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 110' ' ' SER . 18.3 Cg_endo -75.03 98.75 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.557 1.819 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 t 65.3 -75.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 108' ' ' PRO . 3.1 m -91.91 86.54 5.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.06 97.69 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.77 153.99 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.955 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.17 129.09 2.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -163.38 124.86 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 0.716 . . . . 0.0 110.022 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -135.57 153.64 51.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.13 -144.31 4.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.502 1.127 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 148.29 35.07 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -49.43 176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.7 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -44.42 157.28 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.6 Cg_endo -74.93 156.6 43.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.34 168.68 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 65.87 31.18 9.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 95' ' ' ALA . 33.4 tp -85.32 109.25 18.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.05 169.45 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' CG2' ' A' ' 20' ' ' VAL . 70.9 t -93.66 121.62 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 54.7 mm-40 -85.9 -49.55 7.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -145.47 155.83 43.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 104' ' ' ARG . 87.7 t -133.47 126.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 -157.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -90.2 -43.04 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 p -127.68 13.06 6.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.8 p -145.52 154.56 42.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.427 HG21 ' CE2' ' A' ' 81' ' ' PHE . 1.5 m -142.13 149.76 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.9 m -106.67 141.86 37.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.99 156.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -151.0 125.02 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.9 p90 -130.95 -179.0 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.24 155.08 68.7 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.46 42.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -112.1 -32.57 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -98.31 82.58 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mt -106.76 -79.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 39.31 82.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 36' ' ' GLY . . . 174.18 43.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.62 -43.35 3.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.81 137.11 3.78 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.8 tt -50.83 140.04 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.757 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -71.5 -44.48 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.14 -154.57 21.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 22.0 m-85 -141.51 142.06 33.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.3 mt -104.42 124.87 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.948 HG22 HG22 ' A' ' 83' ' ' VAL . 18.3 t -102.4 132.42 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt-10 -140.71 136.9 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 39.0 p90 -119.85 145.59 46.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 46.3 t -123.35 119.73 30.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 79' ' ' ILE . 1.6 mt -67.86 137.07 55.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.08 127.34 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.68 -29.06 12.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -80.99 148.5 29.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.45 14.74 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.13 123.27 42.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.7 m95 -85.05 121.56 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.563 HG13 ' HD2' ' A' ' 57' ' ' PRO . 75.6 t -91.46 141.4 25.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.08 79.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.569 HD22 HG13 ' A' ' 63' ' ' VAL . 8.2 p-10 -120.84 119.95 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.63 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -124.02 157.13 64.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.537 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.94 142.69 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 HD22 ' A' ' 59' ' ' ASN . 5.9 m -91.9 157.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -91.76 -32.14 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -69.44 166.98 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 21.6 p -91.81 50.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' O ' HG21 ' A' ' 63' ' ' VAL . . . 174.8 -177.07 47.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 67.6 t80 -173.35 170.72 4.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.1 m -129.7 120.41 25.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -138.15 170.3 16.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.7 t0 57.8 81.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 72' ' ' ASP . 12.5 mt -142.69 146.87 40.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.586 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.01 119.2 5.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 m -62.87 117.54 6.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.33 4.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.07 130.57 37.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -76.57 98.35 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.586 HD11 ' HD2' ' A' ' 74' ' ' PRO . 59.8 mt -112.93 138.47 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 21.6 mt -101.46 128.44 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' HB2' HD12 ' A' ' 97' ' ' LEU . 29.8 m-85 -101.82 144.95 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -141.92 148.11 38.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.948 HG22 HG22 ' A' ' 45' ' ' VAL . 2.6 t -128.94 137.37 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -134.92 131.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.39 117.2 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.537 HG21 ' HG3' ' A' ' 62' ' ' PRO . 18.8 m -88.81 158.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 4.8 p-10 174.45 177.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -50.61 -42.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -60.65 -23.83 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 117.2 -121.43 5.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -120.72 159.12 26.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.8 p -114.96 -175.33 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 6.6 tt0 -60.68 133.38 91.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.04 118.45 5.26 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.624 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -75.91 61.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -46.87 143.87 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.5 mt -70.08 151.12 45.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.05 -35.36 69.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -133.7 150.01 73.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.572 ' CG1' HD13 ' A' ' 103' ' ' ILE . 37.7 t -119.78 133.52 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.32 -25.26 42.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.572 HD13 ' CG1' ' A' ' 101' ' ' VAL . 30.5 mm 68.43 100.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.567 ' H ' HG12 ' A' ' 20' ' ' VAL . 2.6 mtt180 -176.12 146.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.02 154.87 17.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 146.11 23.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.54 172.67 54.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.54 4.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.63 89.16 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.9 t -167.95 93.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -86.0 126.79 34.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -147.77 135.13 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 136.56 4.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -131.23 99.56 4.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -150.18 177.0 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.23 -128.67 1.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.02 16.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.43 1.753 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.406 ' H ' HG23 ' A' ' 9' ' ' THR . 80.9 p -40.73 161.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.96 137.88 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -54.21 166.03 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -74.97 154.91 42.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 165.1 29.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.458 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 66.0 m-70 65.64 36.91 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 95' ' ' ALA . 12.1 tp -92.34 113.04 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -139.39 169.82 17.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG11 ' CG2' ' A' ' 20' ' ' VAL . 64.6 t -94.46 113.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -76.95 -46.86 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.69 163.07 37.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 104' ' ' ARG . 81.8 t -138.59 136.29 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 22' ' ' ASP . 1.4 m -108.1 -157.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.427 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 21' ' ' THR . 1.4 m-20 -87.5 -49.67 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -121.95 9.47 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.73 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.5 p -140.39 165.5 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.44 HG23 HG22 ' A' ' 20' ' ' VAL . 4.7 m -151.92 162.25 41.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -115.42 146.61 41.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -136.99 150.19 47.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.48 117.45 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.695 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.7 p90 -121.15 -176.59 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 12.4 mtm180 -125.79 154.23 73.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 158.18 42.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.41 12.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -110.3 -22.54 11.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.38 82.25 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.32 -62.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.45 -158.07 48.59 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 153.94 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.68 -56.77 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 166.01 40.32 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.5 tt -95.38 143.97 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -44.61 45.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.19 -139.85 5.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.437 1.086 . . . . 0.0 110.987 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 23.9 m-85 -149.49 141.53 23.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.9 mt -102.06 127.44 48.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.711 HG22 HG22 ' A' ' 83' ' ' VAL . 21.3 t -104.87 129.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 6.9 mt-10 -141.92 137.51 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 26.0 p90 -119.52 144.49 47.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.1 t -123.38 118.9 28.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 79' ' ' ILE . 1.7 mt -65.35 134.47 53.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 78' ' ' ARG . 6.8 tp10 -49.33 115.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.88 -26.68 12.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -80.94 150.9 28.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -113.81 14.66 18.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.92 116.22 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.496 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 54.4 m95 -78.59 124.1 27.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 57' ' ' PRO . 65.1 t -91.47 141.53 26.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.66 -43.59 68.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 17.1 p-10 -120.95 118.34 29.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.84 -32.99 47.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 8.4 pt-20 -125.24 156.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.38 16.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.669 HG11 ' CD1' ' A' ' 68' ' ' PHE . 27.5 m -76.23 172.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 6.1 pt-20 -106.28 -36.19 6.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 6.6 mtm180 -70.84 169.62 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -91.53 49.1 1.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.53 175.14 44.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.669 ' CD1' HG11 ' A' ' 63' ' ' VAL . 76.1 t80 -167.83 167.7 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.1 m -126.11 119.3 27.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . 11.9 t -85.83 153.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -136.5 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.475 ' O ' HD23 ' A' ' 73' ' ' LEU . 7.5 t70 55.41 79.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.7 mt -142.54 143.76 27.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.699 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.99 122.38 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.3 m -64.01 118.06 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.85 44.79 5.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -128.96 136.78 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 50' ' ' GLU . 46.0 mtt180 -78.01 98.15 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.699 HD11 ' HD2' ' A' ' 74' ' ' PRO . 47.7 mt -116.96 142.12 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.5 mt -109.11 127.49 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.611 ' HB2' HD12 ' A' ' 97' ' ' LEU . 27.1 m-85 -102.1 127.76 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.54 137.1 50.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.711 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -113.72 138.33 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 1.5 m -134.04 125.54 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.78 114.58 4.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.4 m -84.65 160.59 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 3.3 p30 -179.2 -179.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -42.19 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.72 68.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.18 -104.25 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -134.6 166.69 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.5 p -122.3 175.64 6.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 3.1 mt-10 -50.65 133.41 27.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.06 116.62 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.594 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -77.95 56.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.2 m -48.29 158.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 81' ' ' PHE . 17.8 mt -79.42 144.57 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mt -68.68 -17.87 64.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -148.82 149.57 30.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.47 8.55 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.0 t -123.46 133.61 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -20.63 58.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.503 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.0 mm 63.2 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -178.44 147.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.93 178.3 5.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.6 p -121.68 107.35 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.3 147.41 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -61.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -56.82 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.59 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.77 113.86 17.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 152.34 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.59 170.58 19.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.25 -60.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.57 114.14 22.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.15 165.93 12.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.73 28.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 35' ' ' ILE . 58.5 p -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 136.33 34.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.01 158.76 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -75.03 161.02 39.36 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.82 173.44 12.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 63.94 26.2 14.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 95' ' ' ALA . 26.7 tp -83.13 109.88 17.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -139.88 167.15 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.536 ' CG1' HG23 ' A' ' 20' ' ' VAL . 36.3 t -92.49 102.64 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 9.1 mm-40 -65.21 -57.56 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 49.8 t0 -135.44 167.97 20.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG22 HG23 ' A' ' 25' ' ' THR . 25.0 t -145.9 122.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 -157.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -35.44 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 24' ' ' THR . 1.9 p -136.01 21.52 3.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 23' ' ' THR . 1.2 p -154.95 138.65 16.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.715 HG23 HG22 ' A' ' 20' ' ' VAL . 59.0 m -128.96 146.09 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.5 m -105.32 149.66 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -139.82 148.69 42.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.7 tttp -144.57 119.72 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -125.51 179.46 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.032 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -126.25 155.03 74.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.94 41.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.667 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.01 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -104.94 -26.19 12.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.81 82.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.667 HD13 ' HG2' ' A' ' 32' ' ' PRO . 16.2 mm -74.91 -59.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.07 57.87 1.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' GLY . . . 51.81 -176.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.74 -69.93 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' ALA . . . 108.55 137.76 8.21 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.511 HD11 ' HA3' ' A' ' 85' ' ' GLY . 11.0 tt -65.49 138.92 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.437 0.727 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -48.89 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.11 -139.7 4.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 35.2 m-85 -148.06 151.32 35.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.0 mt -112.45 112.95 24.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.684 HG22 HG22 ' A' ' 83' ' ' VAL . 8.2 t -93.51 139.07 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' A' ' 82' ' ' ARG . 13.0 mt-10 -151.57 143.21 23.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 22.8 p90 -122.53 145.2 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.527 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.1 t -123.21 114.32 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.65 137.24 58.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -49.46 127.21 14.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.07 -29.5 11.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 28.4 t -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.975 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -116.62 -2.41 11.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 129.07 45.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -97.07 113.27 24.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 107.992 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.575 HG13 ' HD2' ' A' ' 57' ' ' PRO . 79.5 t -82.38 141.62 45.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.575 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.06 112.42 3.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -63.53 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.4 p-10 -121.09 126.28 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.03 81.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.89 157.17 42.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -75.07 126.93 10.24 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 ' HD1' ' A' ' 68' ' ' PHE . 34.0 m -64.07 178.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.57 -37.69 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -86.11 163.84 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.452 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 36.4 m -85.53 59.72 5.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.45 153.84 12.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 78.9 t80 -154.7 167.47 30.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -126.56 103.24 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 73' ' ' LEU . 22.0 t -78.81 129.73 37.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' CB ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -122.62 178.49 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.52 68.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD21 HG12 ' A' ' 70' ' ' VAL . 6.7 mt -132.8 148.31 68.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.583 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 118.66 5.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.8 m -60.12 117.8 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.9 54.25 3.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -140.9 130.96 24.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -75.38 98.81 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 74' ' ' PRO . 54.1 mt -117.28 140.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 100' ' ' PRO . 35.1 mt -104.62 132.99 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' A' ' 97' ' ' LEU . 28.6 m-85 -104.82 141.93 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -137.9 144.01 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.72 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 t -124.05 136.42 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 92' ' ' SER . 2.2 m -135.46 134.38 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 40' ' ' ILE . . . -84.07 116.53 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.28 159.89 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.558 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 8.7 p-10 176.66 -178.0 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.4 tt -54.63 -42.32 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -57.21 -39.7 75.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 137.67 -109.31 0.69 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 161.42 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 84' ' ' VAL . 24.3 p -119.7 160.76 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -42.13 135.2 2.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.605 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -84.29 51.43 2.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -41.05 142.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.3 mt -64.67 152.61 41.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.25 -23.41 54.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -140.93 149.72 57.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.657 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.93 175.5 11.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.564 ' CG1' HD13 ' A' ' 103' ' ' ILE . 39.6 t -123.25 133.61 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -22.43 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.347 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.564 HD13 ' CG1' ' A' ' 101' ' ' VAL . 29.6 mm 67.21 100.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.489 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -178.7 145.45 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.84 150.03 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 t -158.45 148.47 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -142.08 157.56 26.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.81 27.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.29 109.0 21.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 t -147.67 122.78 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -174.71 101.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -93.79 -58.09 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.83 162.58 37.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 p -68.88 143.59 54.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.747 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -147.43 101.73 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.42 160.9 27.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.43 33.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 35' ' ' ILE . 80.5 p -66.61 -172.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.41 133.64 34.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -49.08 162.12 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -74.96 156.28 43.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.23 166.4 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 66.08 28.06 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 95' ' ' ALA . 15.5 tp -85.2 112.28 20.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -145.38 167.08 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG11 ' CG2' ' A' ' 20' ' ' VAL . 47.8 t -91.03 109.91 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.54 -45.28 54.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -145.35 166.42 25.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.543 ' CG2' HG11 ' A' ' 17' ' ' VAL . 50.0 t -143.58 127.38 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.55 -158.09 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 -36.38 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -135.76 17.58 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -150.32 145.66 26.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' THR . 19.7 m -131.57 162.67 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -121.71 139.72 53.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -132.07 141.26 49.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.03 120.03 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 9.9 p90 -125.1 -177.24 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.86 155.77 66.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.4 Cg_endo -74.99 155.02 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -74.98 172.9 15.46 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.13 -19.98 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.57 72.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 9' ' ' THR . 1.3 mt -83.98 -72.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.34 -163.63 34.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 48.88 -162.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.66 51.62 3.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 161.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.2 tt -82.0 131.69 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -60.35 -43.02 96.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.59 -148.72 14.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 16.7 m-85 -137.24 139.98 41.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 44' ' ' LEU . 6.2 mt -98.06 130.52 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 83' ' ' VAL . 20.1 t -109.48 142.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -158.06 153.33 25.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.6 p90 -129.7 144.68 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 8.9 t -123.32 111.25 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.28 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD23 HG12 ' A' ' 79' ' ' ILE . 1.3 mt -59.34 139.98 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.94 125.74 18.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.01 -27.77 18.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 t -80.99 155.28 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -114.66 -6.17 12.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.1 pt-20 -98.34 124.16 42.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.6 m95 -90.89 115.35 27.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 57' ' ' PRO . 62.9 t -86.71 141.39 33.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 131.51 14.4 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.81 -45.2 12.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.0 p-10 -121.12 109.53 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASN . 7.4 mtpm? -40.13 -47.33 2.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 26.6 mt-10 -112.27 156.98 41.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.95 130.99 13.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.579 HG11 ' HD1' ' A' ' 68' ' ' PHE . 33.9 m -66.55 -175.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.12 -41.26 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.17 176.08 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.5 p -98.51 58.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.75 147.57 7.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.579 ' HD1' HG11 ' A' ' 63' ' ' VAL . 83.7 t80 -157.82 172.18 18.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.517 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 1.8 m -130.75 129.88 43.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.6 t -101.17 118.37 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.51 177.38 4.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.471 ' O ' HD23 ' A' ' 73' ' ' LEU . 20.9 m-20 59.33 77.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 72' ' ' ASP . 13.3 mt -141.95 144.26 31.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.92 123.98 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.4 m -62.33 121.98 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.95 54.36 4.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.01 131.64 33.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -73.94 97.86 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.646 HD11 ' HD2' ' A' ' 74' ' ' PRO . 58.5 mt -117.18 142.34 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 100' ' ' PRO . 26.3 mt -108.52 135.08 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.669 ' HB2' HD12 ' A' ' 97' ' ' LEU . 25.5 m-85 -112.26 129.45 56.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CZ ' ' HG3' ' A' ' 46' ' ' GLU . 51.6 ptt85 -133.68 136.58 44.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.745 HG22 HG22 ' A' ' 45' ' ' VAL . 2.1 t -111.67 140.48 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 92' ' ' SER . 1.7 m -133.7 134.06 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.8 111.61 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 62' ' ' PRO . 21.2 m -82.56 160.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 8.1 p-10 173.93 175.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -52.06 -39.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.54 -21.13 66.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 119.5 -106.88 1.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -136.75 163.79 29.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 84' ' ' VAL . 59.8 p -118.13 165.14 14.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -43.43 134.24 3.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.57 12.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.498 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -84.32 52.07 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -41.82 138.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.669 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.7 mt -63.52 148.25 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.4 -26.27 66.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -144.08 153.82 57.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.542 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.03 177.93 7.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.809 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG1' HD13 ' A' ' 103' ' ' ILE . 42.1 t -124.24 134.11 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.11 -20.99 40.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.416 HD13 ' CG1' ' A' ' 101' ' ' VAL . 20.3 mm 65.87 100.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -175.9 146.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 110.279 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.02 155.11 17.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 p -105.63 154.02 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -125.65 -179.45 15.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 99.43 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 m 62.97 107.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.62 156.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -129.51 84.0 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.46 137.48 6.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.66 100.49 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.25 -59.11 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.065 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -105.99 125.89 51.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 166.94 23.96 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.96 134.24 17.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.819 HG22 ' O ' ' A' ' 35' ' ' ILE . 8.0 p -42.77 153.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.34 147.21 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -62.79 161.96 25.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 155.27 42.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.87 162.06 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CD2' HH21 ' A' ' 30' ' ' ARG . 68.6 m-70 65.62 41.18 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 95' ' ' ALA . 13.1 tp -94.07 113.72 25.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -137.23 174.55 10.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 20' ' ' VAL . 40.0 t -99.64 106.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 81.5 mm-40 -68.22 -51.51 44.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -142.28 166.49 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG23 ' CG1' ' A' ' 17' ' ' VAL . 24.4 t -141.41 126.61 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -101.81 -162.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.28 -55.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -115.63 12.88 16.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.7 p -146.5 158.28 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 69' ' ' THR . 1.2 m -144.52 157.53 44.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -112.09 145.47 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 mt -134.18 155.22 50.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 12.9 tttt -151.3 120.1 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.739 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.4 p90 -124.76 -176.42 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.451 HH21 ' CD2' ' A' ' 14' ' ' HIS . 10.5 mtm180 -124.59 155.05 69.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 158.01 42.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.01 173.96 13.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -106.49 -28.76 10.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -100.84 60.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.819 ' O ' HG22 ' A' ' 9' ' ' THR . 23.3 mm -49.11 -66.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.34 -134.96 12.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.85 144.3 38.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.12 -59.5 4.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.61 163.94 12.47 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 tt -72.27 143.19 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -37.83 22.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.55 -147.72 13.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 24.1 m-85 -146.54 142.83 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.5 mt -103.39 119.29 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 83' ' ' VAL . 23.3 t -96.66 135.69 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -148.48 142.65 26.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 30.1 p90 -123.95 147.19 47.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.9 t -123.25 116.69 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 HG12 ' A' ' 79' ' ' ILE . 1.6 mt -64.43 138.6 58.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.67 126.89 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.6 23.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -84.23 149.34 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -110.7 12.26 22.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.56 121.35 39.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.8 m95 -82.79 116.73 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.017 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 57' ' ' PRO . 59.6 t -84.29 141.42 39.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 122.28 7.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.68 -44.23 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 p-10 -121.05 132.5 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.26 -48.47 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.51 157.64 37.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 18.3 Cg_endo -74.98 133.04 16.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.779 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.742 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.6 m -81.55 157.27 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -91.41 -35.36 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.87 168.52 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 23.9 p -94.64 54.26 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 108.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' HG21 ' A' ' 63' ' ' VAL . . . 170.92 -179.31 42.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.742 ' CD1' HG11 ' A' ' 63' ' ' VAL . 84.6 t80 -172.34 168.84 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.0 m -126.91 121.45 31.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.7 t -87.67 154.25 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -138.02 169.38 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.642 ' O ' HD23 ' A' ' 73' ' ' LEU . 8.0 t70 60.24 76.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 72' ' ' ASP . 25.0 mt -140.12 143.14 32.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.65 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.1 m -62.62 117.79 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' HG23 ' A' ' 102' ' ' THR . . . 91.36 38.97 5.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.39 134.78 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -80.48 99.49 8.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 74' ' ' PRO . 48.8 mt -114.69 138.81 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 100' ' ' PRO . 29.7 mt -102.55 131.36 49.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.425 ' HB2' HD12 ' A' ' 97' ' ' LEU . 29.3 m-85 -104.44 142.12 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -140.15 139.21 35.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.739 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -118.8 129.14 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -124.9 129.19 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.27 119.19 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.82 160.56 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.72 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 4.4 p30 -173.12 177.83 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -49.58 -29.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.72 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -78.88 -37.06 41.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 132.42 -160.21 23.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.14 160.56 26.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.1 p -120.75 -177.46 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.31 133.24 24.76 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 125.77 9.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.522 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -83.31 52.07 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.1 m -40.48 149.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 97' ' ' LEU . 13.2 mt -75.53 151.04 38.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.46 -32.74 66.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -135.97 149.84 69.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.447 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.0 t -120.34 133.07 68.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.409 HG23 ' HA2' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.36 -20.57 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.421 ' H ' HG12 ' A' ' 101' ' ' VAL . 21.4 mm 65.03 98.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -175.06 147.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.249 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.68 159.93 14.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.46 131.96 54.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.82 90.84 0.1 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.99 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 m 50.64 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.3 t -71.96 -58.24 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 119.05 28.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 p -56.44 167.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.29 136.63 13.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.56 147.15 42.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -167.22 87.39 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.75 179.33 44.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.82 29.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -47.65 173.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 p -75.82 139.71 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -47.16 159.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.2 Cg_endo -74.98 166.74 28.58 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.05 168.07 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.444 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 27.9 m-70 65.4 31.12 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.7 tp -88.44 109.09 19.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.43 168.61 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG11 ' CG2' ' A' ' 20' ' ' VAL . 77.6 t -91.93 115.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -82.65 -44.52 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -148.53 161.82 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 ' H ' ' A' ' 104' ' ' ARG . 95.9 t -139.24 144.28 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -158.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 -33.78 15.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 p -136.5 16.07 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.0 p -145.59 165.78 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -153.96 150.31 28.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.6 m -106.75 150.98 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 mt -140.27 149.07 42.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.62 118.04 8.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 66' ' ' CYS . 6.2 p90 -125.56 173.8 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 108.035 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 2.0 mmp_? -116.82 156.16 48.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.2 Cg_endo -75.03 156.37 42.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.568 1.825 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.4 Cg_endo -74.98 173.0 15.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.08 -32.71 7.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.0 77.84 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -103.16 -63.21 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.3 -143.56 21.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.91 169.28 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.95 -66.61 3.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.67 152.33 29.24 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.69 133.57 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.94 -41.51 82.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.15 -145.25 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 29.3 m-85 -144.2 139.93 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.8 mt -101.22 116.28 32.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 83' ' ' VAL . 12.5 t -97.11 146.04 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -161.55 140.92 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 36.5 p90 -118.13 144.32 45.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 9.3 t -123.33 127.15 48.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.326 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -73.22 137.81 45.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.36 126.3 11.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.06 -29.04 11.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -81.15 142.11 33.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -105.94 14.31 28.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.85 115.09 24.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 42.9 m95 -83.44 115.55 22.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 78.3 t -81.99 141.56 47.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.93 122.62 7.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -79.33 -44.02 22.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 15.0 p-10 -121.13 112.15 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -50.74 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.34 158.18 33.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.01 132.21 15.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.629 HG11 ' HD1' ' A' ' 68' ' ' PHE . 16.1 m -73.84 -178.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -112.54 -45.5 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -77.29 164.92 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 6.3 m -89.83 62.61 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.94 147.41 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.629 ' HD1' HG11 ' A' ' 63' ' ' VAL . 72.3 t80 -156.39 170.69 21.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.491 ' N ' ' CD2' ' A' ' 68' ' ' PHE . 2.0 m -132.07 125.2 30.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.534 HG22 ' HB1' ' A' ' 58' ' ' ALA . 46.3 t -94.09 154.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.48 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.3 OUTLIER -138.69 170.5 15.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.2 t0 62.01 79.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 72' ' ' ASP . 10.2 mt -142.28 145.36 34.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.764 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -74.96 119.42 5.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 m -60.14 122.41 14.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.54 48.42 6.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.65 129.54 35.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 96.12 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.764 HD11 ' HD2' ' A' ' 74' ' ' PRO . 72.7 mt -110.86 138.42 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 100' ' ' PRO . 20.7 mt -104.53 132.39 50.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.599 ' HB2' HD12 ' A' ' 97' ' ' LEU . 58.6 m-85 -109.9 129.7 55.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.486 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.0 ptt85 -130.8 135.59 47.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG22 HG22 ' A' ' 45' ' ' VAL . 2.3 t -112.74 141.36 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -135.52 131.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.16 108.92 2.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 62' ' ' PRO . 11.7 m -83.37 153.36 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' GLY . 2.2 p30 -170.19 172.46 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 tt -48.99 -33.59 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.63 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 137.91 -106.55 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.32 169.14 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -124.7 -176.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 3.7 tt0 -59.62 133.51 88.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.03 122.51 7.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -79.45 58.01 2.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m -45.6 143.0 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.7 mt -66.52 148.3 52.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.47 -20.14 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -150.01 151.6 32.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.96 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 103' ' ' ILE . 42.3 t -121.16 134.99 62.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.02 -19.49 47.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.472 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.3 mm 63.78 100.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.509 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -177.7 148.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.68 165.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 p -155.26 120.54 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.82 -137.64 7.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.4 t -150.36 116.17 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.0 p -129.56 -57.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -164.72 107.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.18 160.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.06 -136.28 6.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.94 -62.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.95 144.89 26.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.35 -177.87 15.98 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.507 1.13 . . . . 0.0 111.029 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' N ' ' CB ' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.96 137.78 22.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 35' ' ' ILE . 57.5 p -51.75 167.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.83 143.07 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -56.24 162.09 3.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.4 Cg_endo -74.96 162.67 36.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.82 167.98 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.54 35.88 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 95' ' ' ALA . 36.5 tp -88.03 111.36 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -141.88 171.46 14.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.438 HG11 ' CG2' ' A' ' 20' ' ' VAL . 60.7 t -95.04 115.98 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -82.54 -46.57 13.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -149.55 157.23 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG22 HG23 ' A' ' 25' ' ' THR . 68.5 t -137.1 146.9 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.427 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -118.29 -160.47 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.26 -41.92 17.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -129.2 3.89 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.428 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.427 ' OG1' ' CB ' ' A' ' 21' ' ' THR . 1.9 p -129.35 172.11 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 20' ' ' VAL . 3.6 m -161.9 159.38 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -118.25 146.04 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -134.94 152.0 51.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -144.46 123.24 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 83' ' ' VAL . 4.7 p90 -129.99 -178.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -128.82 153.26 79.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.58 41.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.06 176.52 9.82 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -105.65 -26.88 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.36 71.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.889 ' O ' HG22 ' A' ' 9' ' ' THR . 40.2 mm -60.16 -59.91 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.92 -114.67 3.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.63 150.75 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.01 -59.98 4.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.55 178.9 15.54 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.5 tt -96.14 143.1 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -76.07 -43.34 44.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.03 -142.01 7.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 88.2 m-85 -148.03 145.86 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD12 ' CG1' ' A' ' 86' ' ' VAL . 13.4 mt -107.61 115.21 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 83' ' ' VAL . 2.3 t -96.46 133.99 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -144.32 144.66 31.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 33.4 p90 -123.91 144.7 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 40.4 t -123.36 123.05 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 108.28 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -70.68 138.64 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -47.48 133.38 12.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.77 -31.92 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 44.2 t -80.85 150.78 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.8 11.55 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 117.03 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.9 m95 -84.92 113.35 21.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 57' ' ' PRO . 87.2 t -84.43 141.8 39.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -72.35 -44.18 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 5.1 p-10 -120.13 114.01 21.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -48.31 -38.96 20.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.53 156.28 46.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.496 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.02 126.84 10.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.681 HG11 ' CD1' ' A' ' 68' ' ' PHE . 15.7 m -72.67 167.91 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.5 -34.48 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.91 170.68 10.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.407 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 31.8 p -93.74 58.8 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.5 176.87 35.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.681 ' CD1' HG11 ' A' ' 63' ' ' VAL . 71.8 t80 -164.3 174.07 11.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.3 m -132.46 115.27 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -83.56 154.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -136.26 172.24 13.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.8 OUTLIER 50.06 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 72' ' ' ASP . 19.8 mt -146.09 148.27 34.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.692 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.02 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.7 m -63.55 121.46 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.42 47.17 6.15 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.128 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.33 130.01 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -75.7 96.12 3.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.692 HD11 ' HD2' ' A' ' 74' ' ' PRO . 80.4 mt -108.48 133.28 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 mt -97.37 129.31 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HB2' HD12 ' A' ' 97' ' ' LEU . 23.5 m-85 -104.39 146.87 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -144.41 142.66 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.777 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 t -122.85 128.44 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 44' ' ' LEU . 1.6 m -124.89 134.15 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -82.32 119.86 4.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.534 ' CG1' HD12 ' A' ' 44' ' ' LEU . 4.6 m -90.86 160.53 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.68 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 5.4 p30 178.62 172.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.31 -27.32 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.68 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -72.92 -25.89 61.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 126.86 -109.47 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.52 164.72 27.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 p -120.16 170.06 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -48.09 136.1 11.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.418 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.98 126.6 10.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.689 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.54 54.01 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.2 m -41.38 144.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 81' ' ' PHE . 15.6 mt -71.91 145.97 48.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.21 -16.68 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.77 150.07 32.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.64 4.32 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.503 ' CG1' HD13 ' A' ' 103' ' ' ILE . 43.9 t -126.32 133.04 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.91 -25.07 43.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.503 HD13 ' CG1' ' A' ' 101' ' ' VAL . 33.7 mm 67.41 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.534 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -178.35 151.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.232 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -97.04 170.25 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.18 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -127.67 171.38 19.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.115 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.24 108.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.04 149.77 23.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.48 99.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.978 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.55 -58.48 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.23 91.5 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -101.23 -60.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -145.22 128.74 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.52 -174.93 27.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.74 41.91 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 35' ' ' ILE . 34.2 p -58.19 169.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.7 142.86 48.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -53.12 152.25 8.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 142.79 28.26 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.72 167.73 19.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 39.5 m-70 72.81 21.96 3.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.612 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.5 tp -83.35 108.75 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -136.76 173.33 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -94.97 108.93 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -75.46 -51.78 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -144.3 158.52 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 104' ' ' ARG . 84.1 t -135.99 124.98 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 -162.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -56.08 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -116.67 14.46 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.2 p -145.28 155.91 43.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 20' ' ' VAL . 71.8 m -142.62 159.12 42.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -114.42 150.47 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.5 mt -142.29 141.51 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -139.9 119.01 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' HG21 ' A' ' 83' ' ' VAL . 7.5 p90 -123.83 174.77 7.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.514 ' HG3' ' CG ' ' A' ' 14' ' ' HIS . 3.1 mmt180 -118.67 157.35 50.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.33 43.09 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.572 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 174.75 12.23 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -104.36 -28.23 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.85 72.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 9' ' ' THR . 44.7 mm -59.91 -66.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.88 -125.72 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.79 144.34 44.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.22 -63.46 4.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.85 179.1 15.78 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.4 tt -90.31 144.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.27 -38.44 16.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.9 10.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 20.0 m-85 -149.53 144.04 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.9 mt -103.61 122.77 45.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 83' ' ' VAL . 6.3 t -104.57 123.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 5.3 mt-10 -133.87 133.21 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 42.4 p90 -114.37 146.76 40.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.5 t -123.24 119.32 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.67 138.55 56.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -49.47 129.72 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.83 -30.01 9.05 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 34.3 t -81.1 154.34 26.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -117.29 11.44 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.33 117.2 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.543 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 70.5 m95 -81.76 119.25 23.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG13 ' HD2' ' A' ' 57' ' ' PRO . 57.6 t -88.49 141.48 30.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.556 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 115.28 4.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.56 75.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 13.2 p-10 -120.81 119.33 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -39.32 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 5.7 pt-20 -114.85 151.28 45.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.68 8.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.627 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.6 m -63.01 175.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.17 -39.69 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.55 172.31 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 29' ' ' TRP . 3.9 m -94.81 57.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.6 151.12 9.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.627 ' CD1' HG11 ' A' ' 63' ' ' VAL . 84.5 t80 -157.56 169.89 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.0 m -128.56 123.22 32.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' THR . 23.6 t -90.84 153.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.48 174.82 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.53 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER 55.87 82.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 72' ' ' ASP . 6.6 mt -143.81 144.65 27.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.813 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.04 119.88 5.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.8 m -60.9 123.45 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.57 41.09 9.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.28 130.69 44.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.67 97.56 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.813 HD11 ' HD2' ' A' ' 74' ' ' PRO . 79.1 mt -107.07 135.06 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.1 mt -97.81 125.62 42.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.7 m-85 -102.06 138.5 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.543 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -137.5 146.78 44.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 45' ' ' VAL . 2.4 t -126.09 135.17 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.34 127.31 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -76.32 113.39 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.94 160.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 4.8 p-10 171.9 179.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -52.5 -41.05 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -61.31 -16.85 49.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 112.28 -109.47 2.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 163.18 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 p -119.42 172.21 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.0 mp0 -51.29 135.96 31.0 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 126.15 9.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.425 1.75 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.486 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.51 58.42 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -42.65 141.85 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 81' ' ' PHE . 8.2 mt -68.27 146.22 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -35.59 72.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.46 158.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 174.82 12.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 103' ' ' ILE . 45.7 t -119.95 132.47 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -18.89 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.51 ' H ' HG12 ' A' ' 101' ' ' VAL . 24.4 mm 62.36 100.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.574 ' H ' HG12 ' A' ' 20' ' ' VAL . 3.2 mtp180 -177.25 147.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.17 138.43 35.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.58 141.1 50.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.19 150.99 16.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.58 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.4 t -90.96 130.42 36.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.6 p -117.72 148.8 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -156.15 131.59 9.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -58.59 3.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.56 153.51 21.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -50.1 138.54 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m 61.03 144.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.43 -98.1 2.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 139.46 24.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 35' ' ' ILE . 5.2 p -49.55 154.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.74 137.35 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.16 156.55 1.81 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.95 152.13 40.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 1.7 pt20 -142.42 157.4 44.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 23.3 m-70 76.33 32.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 16.1 tp -88.78 111.4 21.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -137.9 170.37 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.518 HG11 ' CG2' ' A' ' 20' ' ' VAL . 52.0 t -94.24 110.52 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -74.61 -44.74 49.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -153.85 159.42 41.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 104' ' ' ARG . 55.7 t -137.02 131.43 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.23 -157.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.24 -44.15 11.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -126.49 13.03 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.9 p -144.19 162.17 37.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.549 ' OG1' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -150.76 157.45 42.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.2 m -112.61 151.4 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.6 mt -142.41 139.56 31.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -135.59 116.81 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.707 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.9 p90 -122.78 175.3 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 107.992 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 2.3 mtp180 -118.47 159.02 45.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.5 42.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.548 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 176.14 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.427 1.751 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.58 -31.83 9.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.51 71.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.737 ' O ' HG22 ' A' ' 9' ' ' THR . 36.0 mm -53.65 -55.22 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 -167.63 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 48.45 -163.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.56 39.02 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 165.33 40.79 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.8 tt -88.7 136.01 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -32.06 37.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.16 -156.99 27.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 19.0 m-85 -135.31 140.08 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.8 mt -100.75 123.82 45.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.734 HG22 HG22 ' A' ' 83' ' ' VAL . 28.4 t -100.35 130.97 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 11.0 mt-10 -143.07 140.79 31.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.6 p90 -122.53 147.44 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.3 t -123.37 115.99 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 HG12 ' A' ' 79' ' ' ILE . 2.2 mt -64.47 138.28 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.98 136.65 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.54 -33.49 4.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 32.7 t -81.1 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -115.31 -1.27 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -95.26 133.08 39.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.508 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 77.5 m95 -100.07 113.2 25.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG13 ' HD2' ' A' ' 57' ' ' PRO . 62.0 t -85.61 141.39 36.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.549 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . . . -74.64 -45.0 47.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 10.6 p-10 -120.51 123.46 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -53.35 -43.78 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.95 153.89 45.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.642 ' CB ' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.04 123.8 8.13 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.798 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.534 HG11 ' HD1' ' A' ' 68' ' ' PHE . 30.7 m -63.42 175.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -108.45 -37.7 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -85.23 165.3 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.536 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 15.8 m -90.42 69.14 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.21 148.66 6.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.534 ' HD1' HG11 ' A' ' 63' ' ' VAL . 74.7 t80 -160.52 164.07 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.1 m -125.83 120.38 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' THR . 13.6 t -86.15 154.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -137.78 172.93 12.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 73' ' ' LEU . 2.2 t70 54.35 81.28 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 72' ' ' ASP . 10.2 mt -143.97 146.74 35.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.731 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.05 120.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 80.9 m -64.25 118.67 8.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.63 40.61 6.29 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.7 129.09 47.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 86.6 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.731 HD11 ' HD2' ' A' ' 74' ' ' PRO . 59.8 mt -100.94 134.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 mt -99.76 125.42 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.572 ' HB2' HD12 ' A' ' 97' ' ' LEU . 38.6 m-85 -102.18 135.69 43.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.13 137.03 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.734 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -113.85 128.82 70.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 m -122.46 133.17 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -79.18 123.09 6.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.642 HG21 ' CB ' ' A' ' 62' ' ' PRO . 3.6 m -93.66 158.3 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.631 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 6.6 p30 -178.05 175.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -56.5 -25.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.631 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -75.24 -25.14 57.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.23 -109.03 1.08 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.22 168.72 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.8 p -125.76 173.34 9.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.13 135.63 15.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 132.69 15.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.428 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -87.79 50.92 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 m -38.68 143.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 81' ' ' PHE . 16.2 mt -67.69 145.26 54.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.06 -25.64 67.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -143.3 152.66 58.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.02 25.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.406 ' CG1' HD13 ' A' ' 103' ' ' ILE . 53.7 t -115.41 135.91 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.5 -24.76 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.442 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 38.2 mm 66.23 94.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.596 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER 175.1 136.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.435 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -77.18 118.55 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -105.96 81.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -152.51 98.69 0.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 125.62 9.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.9 m -76.96 -60.57 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.02 142.81 57.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -73.94 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -71.46 144.69 49.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.1 -151.91 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -141.71 87.92 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.93 121.54 9.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.63 164.2 12.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 35' ' ' ILE . 13.7 p -67.23 166.25 14.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -67.81 138.76 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -52.1 157.34 2.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.0 159.39 41.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.24 168.42 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.464 ' CD2' ' HE ' ' A' ' 30' ' ' ARG . 40.6 m-70 65.5 31.91 9.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 95' ' ' ALA . 22.3 tp -89.55 105.34 17.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -133.79 172.99 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 20' ' ' VAL . 79.2 t -96.89 117.03 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -81.67 -45.83 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.09 160.0 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.612 HG12 ' H ' ' A' ' 104' ' ' ARG . 59.4 t -138.11 128.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -159.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -82.35 -53.88 5.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -119.76 15.18 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -143.4 155.11 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.502 ' OG1' HG13 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -141.27 158.33 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.5 m -115.26 146.37 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.9 mt -134.84 156.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -153.49 114.8 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.634 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.9 p90 -120.94 -169.31 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HE ' ' CD2' ' A' ' 14' ' ' HIS . 11.4 mtm180 -135.65 156.83 77.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.08 43.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.589 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.97 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.66 -28.21 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.68 75.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.787 ' O ' HG22 ' A' ' 9' ' ' THR . 23.4 mm -65.33 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 -126.52 6.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.78 147.44 36.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.41 -65.21 2.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.04 -159.57 25.58 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 tt -115.9 131.07 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -65.01 -32.46 74.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.89 -152.38 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 12.3 m-85 -135.76 141.55 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 44' ' ' LEU . 5.9 mt -97.71 133.87 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 83' ' ' VAL . 13.7 t -113.66 145.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' CD ' ' CZ ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -162.16 150.52 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 24.4 p90 -127.39 145.86 50.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 7.7 t -123.19 107.03 11.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.2 137.7 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.22 122.41 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.62 -26.61 22.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.2 t -81.24 151.72 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -113.93 5.94 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.6 117.12 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 68.6 m95 -79.34 117.26 20.16 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.588 HG13 ' HD2' ' A' ' 57' ' ' PRO . 95.0 t -85.16 141.73 37.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.01 126.88 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.35 -44.45 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 8.2 p-10 -121.18 110.86 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -46.1 -32.28 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.47 149.13 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.783 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.98 129.56 12.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.686 HG11 ' HD1' ' A' ' 68' ' ' PHE . 7.4 m -75.02 163.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.42 -33.75 10.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.33 -178.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.4 p -106.13 53.09 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.16 174.0 38.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.686 ' HD1' HG11 ' A' ' 63' ' ' VAL . 90.4 t80 -167.82 171.38 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.88 118.64 22.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' THR . 38.1 t -87.58 154.51 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.83 171.39 14.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.511 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.9 OUTLIER 60.57 77.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.5 mt -143.4 144.77 29.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.758 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -75.0 120.3 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 m -62.71 120.16 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.47 40.03 7.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.98 131.27 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -77.17 98.47 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.758 HD11 ' HD2' ' A' ' 74' ' ' PRO . 71.4 mt -111.59 140.87 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.12 134.94 45.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HB2' HD12 ' A' ' 97' ' ' LEU . 30.4 m-85 -115.17 134.22 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.487 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 45.9 ptt85 -134.76 138.96 44.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.634 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.4 t -113.49 139.64 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 92' ' ' SER . 1.1 m -138.22 129.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.68 127.56 9.12 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.783 HG21 ' HG3' ' A' ' 62' ' ' PRO . 14.5 m -97.11 155.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.7 p-10 175.44 174.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 tt -48.5 -43.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . . . -58.8 -31.18 68.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 124.69 -121.39 4.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 158.39 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 84' ' ' VAL . 87.9 p -113.77 169.38 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 15.1 mt-10 -47.27 133.25 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.08 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.586 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -79.31 57.08 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -38.08 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.2 mt -81.71 141.38 33.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 mt -53.79 -37.51 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -143.46 158.44 57.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.74 17.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 103' ' ' ILE . 31.1 t -115.89 135.8 54.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.42 -22.47 51.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.435 ' H ' HG12 ' A' ' 101' ' ' VAL . 31.8 mm 66.06 95.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.612 ' H ' HG12 ' A' ' 20' ' ' VAL . 9.2 ttt180 -179.89 138.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.22 152.56 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.5 173.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.68 98.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 101.74 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 113.8 27.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.5 t -142.24 -58.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -83.41 140.57 32.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -172.53 150.6 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.85 -142.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.61 75.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.982 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t 57.74 104.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.91 176.26 24.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 150.47 38.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 35' ' ' ILE . 74.9 p -55.15 161.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.99 134.14 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -50.29 163.42 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.99 163.44 35.35 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -153.82 165.66 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CB ' ' HG3' ' A' ' 30' ' ' ARG . 62.2 m-70 65.52 29.86 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.631 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 95' ' ' ALA . 24.9 tp -86.56 106.17 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -135.72 174.44 10.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 20' ' ' VAL . 78.7 t -97.97 113.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -78.41 -47.64 17.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -143.26 169.4 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG23 ' CG1' ' A' ' 17' ' ' VAL . 15.7 t -149.86 123.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -157.94 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 -32.19 14.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 24' ' ' THR . 2.3 p -138.33 21.18 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' THR . 1.2 p -154.07 143.96 21.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 81' ' ' PHE . 3.2 m -131.73 149.88 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -111.83 139.56 47.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' HD11 ' A' ' 97' ' ' LEU . 10.1 mt -131.28 151.14 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.9 119.97 9.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.578 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 11.8 p90 -126.39 173.88 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.054 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HG3' ' CB ' ' A' ' 14' ' ' HIS . 1.7 mmp_? -115.84 155.46 47.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.21 42.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.678 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.6 -29.39 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 81.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.808 ' O ' HG22 ' A' ' 9' ' ' THR . 22.8 mm -70.23 -72.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.31 152.52 12.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.05 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.2 -46.27 8.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 144.97 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.6 tt -86.13 143.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 -27.88 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.38 -157.18 28.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CD1' ' CA ' ' A' ' 85' ' ' GLY . 6.7 m-85 -138.84 143.0 38.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.6 mt -96.46 148.87 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.759 HG22 HG22 ' A' ' 83' ' ' VAL . 21.5 t -127.17 134.34 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -150.76 142.1 23.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 31.7 p90 -118.68 145.17 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 6.9 t -123.05 117.11 24.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 79' ' ' ILE . 1.5 mt -64.72 137.55 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.64 118.37 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.01 -25.2 23.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -80.97 155.15 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.58 11.96 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.14 123.66 41.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.584 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 89.4 m95 -87.12 120.19 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 108.039 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' HD2' ' A' ' 57' ' ' PRO . 96.7 t -84.65 141.88 39.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 122.52 7.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.8 p-10 -121.24 111.94 18.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -47.26 -32.79 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -126.14 156.95 71.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.97 146.14 32.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 68' ' ' PHE . 5.5 m -93.82 154.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 5.9 pt-20 -85.73 -34.71 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 2.9 ptt180 -75.23 169.65 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 3.6 m -97.32 62.8 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 108.316 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.89 169.04 33.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 77.5 t80 -170.95 173.67 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.431 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -125.0 121.48 34.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.503 HG12 HD11 ' A' ' 73' ' ' LEU . 52.5 t -95.48 115.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -104.57 173.41 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.641 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.3 OUTLIER 62.38 78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 72' ' ' ASP . 9.0 mt -146.69 145.47 23.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.598 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.1 Cg_endo -75.05 126.01 9.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.4 m -67.1 124.07 22.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.41 44.73 7.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 102' ' ' THR . . . -133.19 130.16 38.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 99.49 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.598 HD11 ' HD2' ' A' ' 74' ' ' PRO . 54.0 mt -117.93 142.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 100' ' ' PRO . 32.3 mt -100.79 151.03 22.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 97' ' ' LEU . 24.7 m-85 -129.05 127.9 42.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -130.51 141.05 50.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.759 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -115.5 129.09 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.761 HG12 ' O ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.17 126.68 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 43' ' ' TYR . . . -76.52 123.59 6.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.564 HG21 ' HG3' ' A' ' 62' ' ' PRO . 16.5 m -96.89 160.56 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.732 ' ND2' ' HB3' ' A' ' 89' ' ' ALA . 3.5 p-10 172.9 -177.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.06 -43.47 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.732 ' HB3' ' ND2' ' A' ' 87' ' ' ASN . . . -63.3 -22.23 66.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 113.44 -141.46 16.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -96.17 164.72 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.763 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.761 ' O ' HG12 ' A' ' 84' ' ' VAL . 4.7 p -122.76 170.88 9.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.65 134.97 19.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.0 Cg_endo -75.03 121.99 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.608 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.22 53.62 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -38.55 149.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' ' 81' ' ' PHE . 14.6 mt -75.17 141.08 43.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.65 -21.78 63.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -148.97 150.49 32.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.592 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.5 t -125.73 134.55 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -78.31 -21.94 48.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.438 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.436 HD11 ' HZ ' ' A' ' 81' ' ' PHE . 20.9 mm 64.55 97.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 179.67 139.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -83.51 152.3 24.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 p -171.46 167.73 6.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -150.65 -164.14 11.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.34 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.6 p -49.8 -59.38 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.92 81.77 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 t -74.08 134.28 42.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 110.032 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -87.21 80.73 8.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.41 -177.77 47.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.57 120.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.949 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p 174.15 143.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.73 144.94 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.97 142.84 28.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 35' ' ' ILE . 29.5 p -53.65 179.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.58 128.08 34.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -45.85 162.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 163.23 35.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.92 166.22 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 65.64 35.19 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 95' ' ' ALA . 26.4 tp -88.33 108.19 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -140.44 169.62 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.578 HG11 ' CG2' ' A' ' 20' ' ' VAL . 75.8 t -92.34 121.3 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.14 -41.73 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -153.31 151.16 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 104' ' ' ARG . 94.3 t -130.73 124.34 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -159.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 103' ' ' ILE . 1.7 m-20 -79.97 -61.0 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -116.4 19.52 14.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 1.3 p -147.21 152.19 37.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 26' ' ' THR . 1.2 m -140.96 164.34 30.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 25' ' ' THR . 30.7 m -119.67 152.13 37.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.7 mt -140.87 151.47 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.56 121.68 10.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.678 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.1 p90 -127.58 -172.6 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 107.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.87 152.24 78.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.68 43.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.725 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.99 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -28.12 11.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 76.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 9' ' ' THR . 21.3 mm -68.3 -80.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.94 -155.45 3.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 51.26 29.82 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.1 -39.63 3.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.54 -155.87 26.68 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 tt -135.24 142.09 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -38.75 24.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 -132.85 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.8 m-85 -149.33 141.61 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.8 mt -105.48 117.06 33.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.87 HG22 HG22 ' A' ' 83' ' ' VAL . 16.3 t -98.1 136.35 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 15.2 mt-10 -150.19 136.84 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 38.5 p90 -114.99 146.02 41.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 10.4 t -123.13 111.15 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD23 HG12 ' A' ' 79' ' ' ILE . 1.9 mt -56.03 137.37 51.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 118.78 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.73 -24.66 21.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.7 t -83.0 154.56 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -114.1 12.91 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.66 126.28 45.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.58 ' CE3' ' CD ' ' A' ' 82' ' ' ARG . 80.0 m95 -87.26 119.99 28.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 107.978 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.606 HG13 ' HD2' ' A' ' 57' ' ' PRO . 88.1 t -84.83 142.02 38.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.606 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.09 118.61 5.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.15 -42.35 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 18.0 p-10 -121.0 114.29 21.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -31.92 32.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -125.62 157.03 69.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.03 136.71 20.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 68' ' ' PHE . 4.9 m -81.98 173.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 7.1 pt-20 -107.48 -33.79 7.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 14.8 ptp180 -70.12 -178.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.7 p -104.47 56.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.02 -176.24 43.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CD1' HG11 ' A' ' 63' ' ' VAL . 79.6 t80 -174.61 166.46 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 m -128.88 123.41 32.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' THR . 11.5 t -90.79 154.85 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.21 169.22 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.23 76.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.37 147.09 56.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.5 Cg_endo -74.96 119.58 5.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -62.59 118.22 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.08 47.35 5.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.03 135.16 43.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 99.37 8.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' A' ' 74' ' ' PRO . 30.2 mt -117.68 145.45 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 100' ' ' PRO . 22.9 mt -107.07 145.51 32.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.675 ' HB2' HD12 ' A' ' 97' ' ' LEU . 34.4 m-85 -119.77 128.0 53.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.58 ' CD ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -124.76 144.81 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.87 HG22 HG22 ' A' ' 45' ' ' VAL . 2.4 t -123.11 130.73 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.1 130.29 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 120.69 5.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 62' ' ' PRO . 4.1 m -95.22 156.58 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 177.15 -175.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 89' ' ' ALA . 1.3 tt -49.35 -47.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 88' ' ' ILE . . . -50.75 -47.11 59.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.49 -101.01 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.73 150.57 48.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 p -108.24 175.07 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.78 136.86 78.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 124.24 8.44 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.65 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.68 58.17 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -41.03 139.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 81' ' ' PHE . 10.8 mt -62.98 157.93 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.99 -36.85 78.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 14.5 pt20 -141.82 158.79 61.67 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.97 173.13 15.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 103' ' ' ILE . 35.1 t -120.27 135.13 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -19.96 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 22' ' ' ASP . 26.3 mm 65.76 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.589 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -174.82 147.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 136.07 38.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.59 94.85 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -97.77 138.87 14.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.69 35.66 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t 52.78 90.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.68 107.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -109.6 83.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -46.63 154.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 -145.68 15.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.01 138.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -92.77 -67.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.95 -172.55 15.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.128 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.08 25.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.81 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.415 ' H ' HG23 ' A' ' 9' ' ' THR . 60.6 p -43.97 163.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.2 p -63.92 133.26 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -45.73 165.12 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -74.98 165.4 31.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.68 170.72 19.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 64.7 m-70 62.63 30.13 16.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.62 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 29' ' ' TRP . 8.7 tp -89.05 111.77 22.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -142.93 170.94 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -90.18 116.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -82.56 -48.84 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -145.82 161.27 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 104' ' ' ARG . 82.2 t -142.93 142.04 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.48 -157.88 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.97 -38.86 16.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -134.83 23.51 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 2.4 p -151.21 155.82 39.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.47 HG23 HG22 ' A' ' 20' ' ' VAL . 3.9 m -145.05 160.63 41.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.0 m -121.86 143.55 49.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -133.64 142.21 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -138.75 117.09 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.627 ' CE3' HG21 ' A' ' 83' ' ' VAL . 10.7 p90 -119.69 179.37 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 3.9 mmt180 -120.79 154.01 57.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.35 42.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.43 -32.56 6.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.3 75.49 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.38 -78.18 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.79 -127.1 5.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.46 -51.94 2.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.41 -46.24 4.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.79 164.0 38.55 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.7 tt -95.76 135.78 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -48.3 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.14 -138.73 4.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -150.03 141.01 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.9 mt -100.36 127.54 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG22 HG22 ' A' ' 83' ' ' VAL . 3.7 t -107.81 133.37 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 22.4 mt-10 -144.84 134.17 23.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 39.5 p90 -115.76 146.26 42.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 34.7 t -123.41 119.96 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.495 HD23 HG12 ' A' ' 79' ' ' ILE . 2.2 mt -67.47 137.32 55.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.72 123.5 6.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.76 -28.69 14.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -80.83 152.85 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.44 11.67 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -117.73 104.33 10.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 74.4 m95 -67.1 121.7 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.548 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.3 t -89.05 141.41 29.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 114.97 4.15 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.09 -43.66 61.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 26.0 p-10 -121.16 111.15 17.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.32 -31.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 2.0 mm-40 -128.73 157.05 76.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.02 130.01 12.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.668 HG11 ' CD1' ' A' ' 68' ' ' PHE . 33.0 m -67.04 175.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -102.49 -40.06 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.78 178.17 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 25.1 p -99.77 44.17 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.55 144.07 8.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.668 ' CD1' HG11 ' A' ' 63' ' ' VAL . 63.7 t80 -148.55 173.3 13.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.8 m -129.67 124.18 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG12 HD21 ' A' ' 73' ' ' LEU . 22.6 t -98.73 121.68 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -112.93 178.36 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.88 76.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD21 HG12 ' A' ' 70' ' ' VAL . 6.3 mt -139.5 145.54 44.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.733 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.01 119.51 5.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.0 m -59.46 115.89 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.99 50.84 3.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.43 131.05 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.54 87.19 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.733 HD11 ' HD2' ' A' ' 74' ' ' PRO . 33.9 mt -100.61 139.82 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.3 mt -102.68 126.29 49.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.72 ' HB2' HD12 ' A' ' 97' ' ' LEU . 31.0 m-85 -101.95 141.15 35.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.057 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -140.08 147.45 40.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.627 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -126.23 136.14 61.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.85 127.95 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.14 110.65 3.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.679 HG21 ' HG3' ' A' ' 62' ' ' PRO . 30.8 m -82.99 160.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 7.5 p-10 179.39 173.73 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -47.04 -44.09 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.69 -39.43 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' VAL . . . 139.47 -107.49 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.8 165.72 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.356 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 p -121.1 172.37 8.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 17.0 mp0 -50.81 132.85 28.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.55 59.52 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -43.89 144.19 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 81' ' ' PHE . 9.3 mt -68.83 149.06 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -34.77 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.17 158.45 48.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 103' ' ' ILE . 23.6 t -113.2 139.3 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -23.24 37.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.428 HD13 ' CG1' ' A' ' 101' ' ' VAL . 30.1 mm 67.44 99.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.518 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER 176.74 150.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.18 145.41 26.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -129.9 119.32 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.02 169.38 21.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.95 33.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.58 -57.16 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 t -117.98 -58.13 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.63 92.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.776 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.27 -70.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.92 164.59 34.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -120.55 -58.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.043 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 m -117.93 -57.45 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.54 165.98 21.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.16 36.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 35' ' ' ILE . 33.1 p -52.78 170.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.88 133.16 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -46.51 159.59 0.35 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.58 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -74.99 159.36 41.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.95 168.37 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 65.54 33.21 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.3 tp -91.15 115.4 27.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -145.55 172.36 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 20' ' ' VAL . 65.5 t -94.76 113.68 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -149.96 154.47 38.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 104' ' ' ARG . 80.5 t -132.31 135.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -157.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.78 -35.41 13.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 p -132.96 10.43 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.664 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.9 p -142.27 162.49 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.7 m -148.53 150.93 34.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -108.39 149.62 28.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -139.38 150.86 45.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.19 114.83 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.635 ' CE3' HG21 ' A' ' 83' ' ' VAL . 6.2 p90 -122.75 -179.68 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.88 154.84 80.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.57 41.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.601 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.07 175.4 11.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -103.8 -32.23 9.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.51 71.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.699 ' O ' HG22 ' A' ' 9' ' ' THR . 44.3 mm -58.98 -57.09 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.81 -110.48 2.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.04 147.36 47.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.35 -58.24 4.4 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.39 -179.39 16.31 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 tt -101.08 144.33 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -46.2 46.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.64 -143.25 7.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 17.8 m-85 -141.59 143.48 33.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 44' ' ' LEU . 7.9 mt -104.26 114.79 29.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 83' ' ' VAL . 34.1 t -95.21 128.38 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 9.8 mt-10 -138.85 140.63 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 44.7 p90 -124.81 146.83 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 44.4 t -123.07 117.94 26.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -68.06 135.35 52.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.89 -29.96 10.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.098 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 t -80.78 150.59 29.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 14.23 16.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.71 116.47 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.494 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 65.4 m95 -78.15 117.93 19.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 66.2 t -87.87 141.45 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 117.0 4.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.61 -44.87 66.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.7 p-10 -121.11 114.81 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -48.37 -45.41 35.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.04 155.2 43.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.43 17.9 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 68' ' ' PHE . 17.6 m -76.7 179.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -109.76 -43.11 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.52 154.72 28.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 35.3 m -81.49 55.54 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.265 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.11 145.16 7.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.549 ' CD1' HG11 ' A' ' 63' ' ' VAL . 67.5 t80 -154.45 168.15 27.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' THR . 2.0 m -133.69 114.72 13.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' THR . 15.0 t -83.26 153.45 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -134.99 172.27 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.577 ' O ' HD23 ' A' ' 73' ' ' LEU . 33.8 t0 58.14 83.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 72' ' ' ASP . 20.0 mt -144.65 145.37 28.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.766 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.3 Cg_endo -74.99 119.46 5.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.9 m -61.96 120.01 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 42.43 6.31 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.94 127.76 42.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 0.819 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.79 84.58 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.766 HD11 ' HD2' ' A' ' 74' ' ' PRO . 73.1 mt -95.91 133.84 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.38 123.66 44.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.689 ' HB2' HD12 ' A' ' 97' ' ' LEU . 51.6 m-85 -102.06 135.71 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 47.0 ptt85 -136.05 134.95 38.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.741 HG22 HG22 ' A' ' 45' ' ' VAL . 2.2 t -111.18 138.49 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 92' ' ' SER . 1.6 m -137.2 136.82 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.22 122.73 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG11 HD12 ' A' ' 44' ' ' LEU . 12.3 m -97.1 157.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.573 HD21 ' HB3' ' A' ' 89' ' ' ALA . 25.1 p-10 177.14 -173.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 tt -57.35 -42.82 81.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.573 ' HB3' HD21 ' A' ' 87' ' ' ASN . . . -56.06 -43.25 77.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.95 -105.1 0.44 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 160.44 38.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 84' ' ' VAL . 86.7 p -117.39 167.64 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.4 mm-40 -47.67 133.53 10.81 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.94 8.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.32 55.29 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -38.55 141.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' A' ' 81' ' ' PHE . 11.0 mt -65.0 143.99 57.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.92 -31.55 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -148.77 158.69 39.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.55 14.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 103' ' ' ILE . 38.7 t -120.46 134.85 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 -22.07 55.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 101' ' ' VAL . 30.5 mm 66.55 94.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.482 ' H ' HG12 ' A' ' 20' ' ' VAL . 14.8 ttt180 -177.47 140.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -81.07 147.84 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 63.53 124.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.86 82.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 163.72 34.87 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.31 106.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 p -124.09 144.18 50.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.47 89.8 3.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.962 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.47 101.69 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.27 -176.28 18.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -69.74 131.26 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.89 152.49 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.84 177.08 29.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.14 31.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.967 HG22 ' O ' ' A' ' 35' ' ' ILE . 77.7 p -51.59 166.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.39 143.11 57.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -58.95 162.52 6.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.01 158.32 42.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.808 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.64 166.36 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 65.02 36.49 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 29' ' ' TRP . 18.1 tp -91.86 114.7 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.6 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG11 ' CG2' ' A' ' 20' ' ' VAL . 53.3 t -95.2 112.19 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.06 -51.08 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.64 160.31 40.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 104' ' ' ARG . 84.4 t -141.88 131.46 23.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -157.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -89.77 -36.11 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -131.79 8.94 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.0 p -141.69 161.3 38.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.446 ' OG1' HG13 ' A' ' 20' ' ' VAL . 1.2 m -148.53 146.64 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.3 m -101.86 146.94 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -134.67 155.02 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.34 120.32 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.798 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.5 p90 -128.41 178.69 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -122.66 153.76 63.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 159.63 40.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.61 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 175.27 11.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.579 1.831 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.99 -35.22 9.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.01 77.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.967 ' O ' HG22 ' A' ' 9' ' ' THR . 41.5 mm -62.75 -61.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.45 -139.78 15.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.33 138.56 47.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.48 -60.16 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.98 169.86 13.39 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.5 133.04 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.3 -43.83 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.06 -161.97 35.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 20.6 m-85 -128.2 140.89 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.6 mt -104.21 119.23 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.748 HG22 HG22 ' A' ' 83' ' ' VAL . 39.1 t -96.22 126.8 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' NH1' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -137.67 140.49 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.452 ' CZ ' ' HB ' ' A' ' 56' ' ' VAL . 51.0 p90 -121.03 148.82 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.529 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 4.7 t -123.15 115.52 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD23 HG12 ' A' ' 79' ' ' ILE . 2.7 mt -62.34 138.08 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 130.75 27.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.25 5.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.414 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 3.5 t -80.89 156.27 26.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -118.06 15.53 14.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -113.05 117.17 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.227 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 82' ' ' ARG . 79.0 m95 -85.35 112.38 20.77 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG13 ' HD2' ' A' ' 57' ' ' PRO . 58.5 t -86.0 141.35 35.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.556 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.03 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.58 91.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 30.6 p-10 -120.29 115.4 23.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -39.54 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.5 151.5 48.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.583 ' HG3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.04 132.4 15.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.535 HG13 HD22 ' A' ' 59' ' ' ASN . 2.7 m -79.01 166.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.06 -39.38 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -68.68 166.83 16.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.445 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -92.45 65.43 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 108.294 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.17 169.1 28.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 59' ' ' ASN . 75.9 t80 -167.29 171.73 10.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.38 115.54 17.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' THR . 27.8 t -82.82 154.86 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.621 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -138.92 173.71 11.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.491 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.0 OUTLIER 53.93 81.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 72' ' ' ASP . 13.7 mt -141.03 146.97 45.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.702 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -75.0 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.468 HG22 HH11 ' A' ' 104' ' ' ARG . 52.8 m -61.71 116.85 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.425 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.57 46.9 4.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.36 129.87 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.0 92.39 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.702 HD11 ' HD2' ' A' ' 74' ' ' PRO . 70.8 mt -105.41 140.46 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 18.7 mt -104.82 129.07 53.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.88 148.14 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -145.4 140.88 27.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.798 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 t -118.56 128.29 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -127.93 126.83 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.72 111.22 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.583 HG21 ' HG3' ' A' ' 62' ' ' PRO . 17.4 m -82.07 156.73 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLY . 4.9 p30 -173.16 174.22 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.88 -31.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -73.66 -23.91 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 123.01 -138.2 11.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 169.67 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.692 ' O ' HG12 ' A' ' 84' ' ' VAL . 15.7 p -128.99 166.28 19.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 2.0 mm-40 -41.7 128.61 2.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.419 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.97 124.03 8.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.427 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -82.83 52.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 m -40.72 145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.148 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 97' ' ' LEU . 12.8 mt -69.75 150.69 46.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.06 -23.38 58.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -142.79 149.07 48.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.511 ' CG1' HD13 ' A' ' 103' ' ' ILE . 37.9 t -120.11 133.97 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.76 -22.63 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.511 HD13 ' CG1' ' A' ' 101' ' ' VAL . 28.8 mm 67.23 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.512 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -177.68 146.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -98.47 153.94 18.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -167.15 86.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.64 129.05 1.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 145.87 32.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 m -91.96 140.87 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.97 149.82 25.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -94.61 81.63 3.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.43 -60.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.1 138.75 10.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -149.7 160.94 43.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.02 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 175.54 40.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -74.97 144.72 30.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 p -46.21 162.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.83 130.5 42.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -44.05 159.36 0.24 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.02 158.1 42.32 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.1 161.18 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CD2' HH21 ' A' ' 30' ' ' ARG . 83.0 m-70 65.16 44.82 3.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.9 tp -97.6 108.19 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -134.81 172.46 12.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 20' ' ' VAL . 59.2 t -93.91 111.67 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 28' ' ' LYS . 68.8 mm-40 -73.4 -50.3 22.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -145.47 161.84 38.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 17' ' ' VAL . 54.8 t -137.0 128.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.53 -157.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -95.2 -42.52 8.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 p -123.29 11.1 9.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 71' ' ' LYS . 1.3 p -145.24 169.91 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.454 HG21 ' CE2' ' A' ' 81' ' ' PHE . 1.5 m -154.48 146.51 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.1 m -104.33 144.45 31.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.13 142.46 44.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 18' ' ' GLU . 6.0 tttt -137.2 129.5 29.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.714 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.7 p90 -133.2 -177.23 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.468 HH21 ' CD2' ' A' ' 14' ' ' HIS . 12.6 mtm180 -127.89 154.13 78.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 157.95 42.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.64 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 176.44 9.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -104.5 -31.4 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.35 78.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.64 HD13 ' HG2' ' A' ' 32' ' ' PRO . 27.3 mm -67.94 -58.01 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -117.22 3.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.42 144.46 51.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.64 -66.0 3.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.14 -172.43 21.76 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 tt -105.31 138.42 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -42.98 63.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.19 -144.7 9.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CD1' ' HA2' ' A' ' 85' ' ' GLY . 49.5 m-85 -144.43 149.46 36.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 44' ' ' LEU . 12.1 mt -110.43 109.75 20.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 83' ' ' VAL . 14.7 t -88.84 130.41 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 11.6 mt-10 -143.46 142.64 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 35.0 p90 -122.99 146.6 47.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 12.2 t -123.18 112.28 17.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.06 138.59 57.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.17 112.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.04 15.34 20.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -118.42 149.53 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.22 10.56 21.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.39 119.42 28.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 57.8 m95 -81.94 119.18 23.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.4 t -86.33 141.38 34.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.543 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 124.79 8.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.6 -43.95 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 15.9 p-10 -121.16 118.09 28.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -51.95 -48.23 64.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -108.48 157.77 35.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.629 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.01 129.18 12.08 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.741 HG11 ' CD1' ' A' ' 68' ' ' PHE . 16.8 m -73.94 168.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.99 -34.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.24 174.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.45 43.58 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.59 170.51 39.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.741 ' CD1' HG11 ' A' ' 63' ' ' VAL . 83.6 t80 -159.28 172.66 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 2.8 m -131.34 118.24 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.64 151.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.514 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.3 OUTLIER -130.76 170.05 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.717 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.2 OUTLIER 57.3 90.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 72' ' ' ASP . 17.7 mt -149.77 144.26 17.56 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.755 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.98 119.06 5.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.8 m -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA2' HG23 ' A' ' 102' ' ' THR . . . 87.43 50.75 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' VAL . . . -137.82 130.89 30.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -71.97 98.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.755 HD11 ' HD2' ' A' ' 74' ' ' PRO . 65.6 mt -113.11 129.72 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 100' ' ' PRO . 30.3 mt -98.04 127.07 43.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.696 ' HB2' HD12 ' A' ' 97' ' ' LEU . 43.0 m-85 -103.77 129.75 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -128.13 135.6 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.714 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 t -112.95 133.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.1 127.86 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -75.58 124.52 7.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.629 HG21 ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -99.06 156.9 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 176.36 177.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 tt -46.54 -45.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 8' ' ' PRO . . . -52.85 -44.6 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.78 -105.41 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -134.35 164.44 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.773 . . . . 0.0 110.304 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.8 p -122.93 173.27 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 66.7 mt-10 -53.02 135.24 48.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.97 6.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.704 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -77.14 58.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 m -44.17 138.09 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.0 mt -65.17 150.32 48.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mt -61.68 -39.42 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -139.44 158.53 68.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.99 173.25 14.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 103' ' ' ILE . 38.5 t -118.28 134.76 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.402 HG23 ' HA2' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -77.78 -20.73 52.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.383 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 101' ' ' VAL . 24.1 mm 65.84 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -179.97 145.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.68 168.24 10.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.1 t -136.63 112.58 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.47 142.7 22.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.6 3.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.01 141.53 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -171.22 122.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -66.66 135.83 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -120.68 -58.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.84 -99.33 0.12 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 p 178.33 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -59.73 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.79 161.75 13.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.78 30.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -47.68 155.09 0.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 138.64 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 93' ' ' GLU . . . -46.13 159.4 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 18.4 Cg_endo -75.01 159.58 41.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.53 164.68 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 68.88 34.29 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 95' ' ' ALA . 14.6 tp -89.8 113.97 25.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -143.05 167.13 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.513 HG11 ' CG2' ' A' ' 20' ' ' VAL . 74.9 t -89.35 119.24 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 26.6 mm-40 -85.92 -46.7 10.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -146.69 153.91 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 104' ' ' ARG . 80.9 t -134.36 125.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -157.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -46.56 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 p -125.76 11.06 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 71' ' ' LYS . 2.1 p -141.99 155.33 45.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -143.95 160.45 40.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.5 m -117.08 145.73 43.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -134.1 149.87 51.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -142.5 116.4 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.864 ' CE3' HG21 ' A' ' 83' ' ' VAL . 5.8 p90 -122.39 177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -125.66 156.97 70.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 161.34 39.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.612 ' HG2' HD13 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.02 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -108.12 -24.8 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.95 75.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.612 HD13 ' HG2' ' A' ' 32' ' ' PRO . 9.2 mm -60.42 -68.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.26 -103.78 0.78 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.98 158.93 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.28 -62.85 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.68 138.79 5.78 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.2 tt -45.81 147.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.9 -36.98 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 86' ' ' VAL . . . 162.47 -173.16 38.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 12' ' ' PRO . 30.7 m-85 -125.44 144.1 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.744 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.4 mt -106.0 119.86 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 83' ' ' VAL . 4.5 t -95.79 135.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 12.7 mt-10 -150.92 149.47 29.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 48.1 p90 -129.64 150.07 51.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 t -123.17 116.88 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -63.57 136.67 57.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.09 116.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.67 -24.24 22.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.112 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 t -81.09 157.8 25.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -120.67 13.45 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -127.14 126.54 43.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 82' ' ' ARG . 85.6 m95 -84.61 123.81 30.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.006 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG13 ' HD2' ' A' ' 57' ' ' PRO . 37.2 t -85.86 137.63 35.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.03 111.48 3.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.41 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.611 HD22 HG13 ' A' ' 63' ' ' VAL . 10.4 p-10 -121.01 119.39 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -29.8 61.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.0 153.82 64.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.99 138.07 22.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.64 HG11 ' CD1' ' A' ' 68' ' ' PHE . 14.5 m -83.59 175.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 12.9 pt-20 -108.52 -43.65 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 3.0 mpp_? -62.32 -179.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 3.6 m -104.64 53.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.84 169.09 35.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.64 ' CD1' HG11 ' A' ' 63' ' ' VAL . 80.2 t80 -164.66 165.29 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -120.28 127.65 52.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 24' ' ' THR . 47.8 t -95.29 154.71 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.6 OUTLIER -139.97 171.44 14.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 58.84 73.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.19 146.85 56.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.62 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.4 Cg_endo -74.95 119.48 5.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.6 m -63.99 121.11 13.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.364 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.68 45.22 6.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.72 131.78 38.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.05 98.82 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.62 HD11 ' HD2' ' A' ' 74' ' ' PRO . 61.0 mt -114.4 142.15 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 100' ' ' PRO . 31.5 mt -100.53 141.96 32.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.65 ' HB2' HD12 ' A' ' 97' ' ' LEU . 27.8 m-85 -116.91 131.72 56.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HD3' ' CE3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -131.55 140.79 49.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.864 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.2 t -119.77 126.29 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -123.05 126.61 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.542 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -77.58 115.47 4.27 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 42' ' ' GLY . 10.4 m -84.89 158.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 89' ' ' ALA . 5.9 p30 -176.32 171.88 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.1 tt -54.58 -30.4 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB3' ' OD1' ' A' ' 87' ' ' ASN . . . -73.68 -19.69 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 87' ' ' ASN . . . 121.54 -138.74 12.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -108.49 161.66 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.27 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.604 ' O ' HG12 ' A' ' 84' ' ' VAL . 26.4 p -113.99 179.0 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . 5.9 mt-10 -57.98 136.19 83.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.618 ' HA ' HG13 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.02 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.537 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -78.33 57.1 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 m -43.68 148.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.65 HD12 ' HB2' ' A' ' 81' ' ' PHE . 13.5 mt -74.12 142.3 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.55 -24.21 67.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -144.04 148.09 40.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.45 ' HA ' HD23 ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.03 174.68 12.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 103' ' ' ILE . 39.4 t -121.8 131.65 72.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.0 -18.29 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.451 ' H ' HG12 ' A' ' 101' ' ' VAL . 19.7 mm 64.04 100.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.559 ' H ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -170.72 147.06 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.96 164.25 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -91.99 156.07 17.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.16 90.05 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 165.94 30.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 t -150.03 130.7 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t 40.05 90.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.055 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 m -90.0 167.57 12.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -60.11 105.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.52 118.31 1.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -119.74 106.67 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.82 151.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.38 -118.57 1.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.22 21.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.779 HG22 ' HA ' ' A' ' 35' ' ' ILE . 8.5 p -39.88 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 139.23 58.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.48 159.31 0.89 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.663 ' HG3' HG12 ' A' ' 83' ' ' VAL . 18.3 Cg_endo -75.0 153.6 41.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -137.82 166.44 24.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 59.38 42.95 17.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 95' ' ' ALA . 38.6 tp -94.96 104.52 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.66 174.18 8.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 t -99.43 107.43 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 30.1 mm-40 -70.18 -56.51 6.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -138.46 173.97 11.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 19' ' ' ASP . 3.0 t -152.63 132.26 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -162.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.46 -37.06 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -127.27 5.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 71' ' ' LYS . 3.2 p -142.57 166.18 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 HG23 HG22 ' A' ' 20' ' ' VAL . 1.2 m -153.94 144.23 22.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.1 m -99.44 149.56 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -138.71 158.53 44.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 1.3 tttt -153.2 125.95 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 83' ' ' VAL . 9.8 p90 -133.36 178.44 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -116.81 154.73 49.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 153.33 41.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' PRO . 18.3 Cg_endo -75.06 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.7 -33.19 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -98.18 86.4 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.779 ' HA ' HG22 ' A' ' 9' ' ' THR . 3.5 mt -107.17 -66.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 37' ' ' ALA . . . 115.23 69.03 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 36' ' ' GLY . . . 72.06 52.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.46 31.29 9.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 35' ' ' ILE . . . -82.72 111.03 3.31 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 tt -174.36 141.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -32.0 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.6 -143.96 11.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 92.3 m-85 -140.41 151.8 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 84' ' ' VAL . 15.6 mt -112.53 107.25 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.916 HG22 HG22 ' A' ' 83' ' ' VAL . 15.7 t -88.91 117.87 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 57' ' ' PRO . 6.7 mt-10 -126.81 143.98 51.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB2' ' CG2' ' A' ' 79' ' ' ILE . 23.1 p90 -124.48 145.64 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 53.0 t -123.24 117.73 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 79' ' ' ILE . 1.8 mt -65.44 136.3 56.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.33 129.46 15.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.8 -30.67 8.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.7 t -80.99 152.33 28.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.14 14.09 16.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -117.31 120.05 37.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.509 ' CD2' ' HB2' ' A' ' 48' ' ' CYS . 66.9 m95 -84.51 116.57 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HD2' ' A' ' 57' ' ' PRO . 61.5 t -86.99 141.64 33.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD2' HG13 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -64.42 -46.23 84.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 6.9 p-10 -120.96 122.51 40.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -53.96 -43.83 70.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -108.62 156.18 39.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.625 ' HB3' HG21 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 68' ' ' PHE . 26.9 m -74.39 172.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.83 -33.81 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 169.54 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 17.6 p -91.88 47.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.07 178.65 48.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 63' ' ' VAL . 89.0 t80 -171.09 171.45 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 68' ' ' PHE . 1.7 m -130.66 110.71 11.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.89 154.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HA ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -137.22 171.13 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 73' ' ' LEU . 55.6 m-20 52.7 84.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 72' ' ' ASP . 11.0 mt -144.09 144.25 25.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.848 ' HD2' HD11 ' A' ' 79' ' ' ILE . 18.2 Cg_endo -75.05 119.77 5.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.1 m -61.75 118.14 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.38 42.53 5.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.85 129.17 43.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.84 90.6 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.848 HD11 ' HD2' ' A' ' 74' ' ' PRO . 63.7 mt -102.68 137.76 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 24.2 mt -103.65 125.67 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.635 ' HB2' HD12 ' A' ' 97' ' ' LEU . 41.9 m-85 -102.34 135.44 43.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HD2' ' CB ' ' A' ' 94' ' ' PRO . 47.4 ptt85 -136.76 134.62 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.916 HG22 HG22 ' A' ' 45' ' ' VAL . 3.4 t -110.94 133.06 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 44' ' ' LEU . 3.0 m -126.92 134.01 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.433 ' HA2' ' CD1' ' A' ' 43' ' ' TYR . . . -80.63 117.36 4.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.625 HG21 ' HB3' ' A' ' 62' ' ' PRO . 3.6 m -96.93 158.83 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.434 HD21 ' HB3' ' A' ' 89' ' ' ALA . 30.2 p-10 177.16 -177.91 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.3 -40.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 87' ' ' ASN . . . -56.77 -46.47 81.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.46 -105.53 0.39 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -136.11 167.47 21.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.4 p -129.25 170.51 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -50.98 134.81 28.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.435 ' CB ' ' HD2' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.05 127.06 10.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.661 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -81.06 54.35 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -40.06 145.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 81' ' ' PHE . 15.2 mt -70.95 147.17 48.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -26.42 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -143.29 150.38 51.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.77 13.93 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 103' ' ' ILE . 43.1 t -119.21 134.55 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -23.48 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.402 ' H ' HG12 ' A' ' 101' ' ' VAL . 26.0 mm 65.45 101.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -179.87 147.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 148.86 22.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.98 139.44 52.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.99 141.08 5.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 153.17 41.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.8 p -80.77 84.95 6.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.8 m -56.58 129.55 41.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.972 . . . . . . . . 0 0 . 1 stop_ save_