data_1x6b_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 1x6b _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 ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 65' ' ' PHE . 24.8 m -129.27 140.75 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -95.06 117.65 30.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 24.2 mm -64.99 110.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 73.4 p -65.92 -38.42 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 3.9 pttp -139.28 150.25 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.67 149.14 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.2 t80 -129.95 82.3 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.76 119.08 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.65 131.55 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.81 -34.99 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 7.6 mt-30 -86.6 -174.75 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.99 -6.15 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.14 -26.68 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -72.81 144.01 47.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.54 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 3.5 p -115.81 144.2 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 88.7 m -80.37 129.47 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 1.9 mt -124.84 159.83 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -111.63 177.25 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 23' ' ' THR . 12.7 tt0 -75.58 126.23 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 70.08 48.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -104.79 177.68 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 t -131.03 133.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -137.63 130.33 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 15.8 tp -86.76 109.61 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.58 139.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 14.0 mt -121.98 -41.22 2.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.34 118.59 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -95.35 113.15 24.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.0 tt0 -120.23 115.3 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLU . 4.9 m-20 -38.67 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.57 -44.78 1.22 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 48' ' ' GLU . 58.2 m95 -135.15 143.74 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.01 116.15 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -87.66 142.67 27.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.36 -172.57 31.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -130.0 118.16 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.3 ttp180 -60.73 117.14 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.68 -18.64 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 13.3 ttt-85 -52.3 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.03 -26.02 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 8.86 23.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.24 127.85 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.55 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -107.93 113.33 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.447 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.447 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -146.54 -174.58 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -95.57 132.45 40.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.5 p90 -136.46 130.78 18.18 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.06 153.52 41.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.81 -35.55 64.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -22.62 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.9 m-85 -107.13 24.3 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.23 168.95 25.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -136.77 111.37 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG22 ' CE1' ' A' ' 65' ' ' PHE . 18.3 m -132.75 141.62 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -97.74 118.23 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 40.2 mm -65.4 112.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.4 p -69.72 -34.87 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 11.5 pttt -142.22 151.14 41.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.21 147.84 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.1 t80 -127.99 80.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -56.48 114.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.09 137.16 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.5 -34.54 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.7 mt-30 -94.22 178.24 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.41 -7.3 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.63 -19.73 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -85.29 172.09 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.75 138.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.0 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 2.5 mt -130.48 166.65 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -119.27 166.4 13.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -65.63 127.13 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.62 46.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.06 148.84 30.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.91 140.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.6 t -139.64 129.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 29.8 tp -86.8 109.82 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 45' ' ' LEU . 82.7 t -60.43 139.83 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.0 mt -120.0 -40.54 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.3 120.54 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -97.89 113.3 25.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tp10 -120.93 115.3 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -38.86 103.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.81 -41.38 1.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLU . 51.9 m95 -141.61 147.78 38.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 119.63 35.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 39.7 t80 -91.73 143.44 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.16 -173.5 35.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.3 tm-20 -127.41 129.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' GLY . 9.6 ttp180 -69.3 117.27 10.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.58 -11.57 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -62.61 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.43 -25.63 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.09 8.09 26.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.31 126.84 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.605 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -107.97 113.37 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -176.05 19.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 80.2 m95 -94.84 129.54 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.62 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.9 p90 -133.06 132.26 22.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.02 152.88 41.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.762 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.73 -35.53 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -24.86 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 44.2 m-85 -107.49 32.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.56 163.77 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -134.0 113.46 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.556 HG22 ' CE1' ' A' ' 65' ' ' PHE . 15.7 m -131.57 142.31 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.67 120.64 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 9.9 mm -63.52 127.46 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.9 p -87.86 -21.17 25.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -152.29 145.92 24.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.17 129.77 39.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -111.42 90.7 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -63.78 98.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HB1' ' N ' ' A' ' 34' ' ' VAL . . . -43.12 134.63 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -34.61 6.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mt-30 -93.75 -174.66 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.71 -8.78 39.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -22.08 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -74.28 174.79 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.409 ' N ' ' HB1' ' A' ' 28' ' ' ALA . 2.5 p -148.14 138.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.6 m -68.52 133.39 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 3.7 mt -130.95 167.49 18.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -122.62 176.66 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -73.29 125.29 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 72.81 46.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.75 130.04 55.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.8 139.28 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.93 131.43 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLU . 6.6 tp -86.73 109.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.34 139.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.36 -40.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.58 122.98 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -100.52 113.34 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -120.67 114.81 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 t70 -38.82 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.55 -40.73 1.7 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' GLU . 53.0 m95 -142.15 147.71 37.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.91 122.52 43.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 49.7 t80 -95.12 143.68 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.54 -171.69 32.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -127.27 130.06 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.8 ttp180 -70.89 114.5 9.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.58 -11.69 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -61.53 -65.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -112.63 -25.54 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.06 5.15 29.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 129.5 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.601 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -108.15 114.8 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.64 -174.58 18.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.0 m95 -95.93 138.17 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.619 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 p90 -141.86 132.13 12.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 154.25 42.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' CB ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.74 -34.95 62.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.57 -22.76 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 41.3 m-85 -108.64 18.81 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 22' ' ' ILE . . . -147.93 165.77 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -136.49 110.88 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.572 HG22 ' CE1' ' A' ' 65' ' ' PHE . 15.5 m -137.41 143.18 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -102.22 119.91 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 14.9 mm -64.64 123.93 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -80.73 -26.1 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.1 pttt -151.09 148.23 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.95 138.25 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.6 t80 -122.34 86.92 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.73 114.1 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.412 ' HB2' ' N ' ' A' ' 34' ' ' VAL . . . -59.73 131.95 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.79 -35.29 7.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mm-40 -93.05 -177.44 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.06 -7.25 49.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -21.51 14.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -69.76 -176.45 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.412 ' N ' ' HB2' ' A' ' 28' ' ' ALA . 2.7 p -157.98 131.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 92.4 m -67.57 133.42 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 6.7 mt -128.91 171.27 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -125.13 177.03 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.78 125.69 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.65 48.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.39 131.28 55.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.03 141.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.422 HG11 ' CD2' ' A' ' 65' ' ' PHE . 41.9 t -138.81 129.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 4.9 tp -87.59 109.48 19.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.87 137.53 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.4 mt -119.41 -41.14 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.29 119.06 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -95.84 113.29 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 5.8 tt0 -120.04 113.99 21.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.4 m-20 -38.35 102.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.97 -39.32 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' GLU . 55.9 m95 -140.66 145.45 36.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.638 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.43 115.83 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -88.37 143.92 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.35 -171.15 33.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.6 tt0 -127.17 119.59 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' GLY . 42.0 ttp180 -66.5 101.6 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.21 -21.66 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -47.26 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.2 -25.54 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.49 11.01 22.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 125.94 28.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.58 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.2 m -104.7 113.1 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.14 -174.96 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -95.28 132.32 40.41 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.1 p90 -136.12 132.04 19.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.98 153.16 41.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.66 -35.02 65.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -22.4 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 45.3 m-85 -109.12 20.36 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . . . -151.3 168.35 25.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.37 109.96 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 65' ' ' PHE . 16.9 m -131.9 139.45 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.42 118.5 33.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 41.8 mm -64.25 108.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -64.82 -37.6 88.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -140.06 150.92 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.28 158.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 6.3 t80 -143.29 80.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -63.53 102.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' A' ' 34' ' ' VAL . . . -57.16 141.11 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.2 -33.47 7.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.2 mm-40 -93.58 -173.76 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.84 -6.07 33.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.27 -20.75 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -86.52 175.0 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' ALA . 3.2 p -144.76 144.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 6.1 mt -133.46 158.84 42.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -113.72 165.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -63.52 127.64 32.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.45 49.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.82 139.66 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.2 t -93.81 144.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -143.54 128.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 14.5 tp -86.76 109.85 19.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.41 139.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.4 mt -118.9 -40.07 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 117.99 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.3 117.35 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.9 tp10 -124.47 114.92 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' GLU . 12.6 m-20 -38.89 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.74 -44.99 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' GLU . 68.8 m95 -134.8 139.02 44.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.62 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.74 118.74 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CZ ' HG23 ' A' ' 62' ' ' THR . 39.3 t80 -88.64 144.21 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.98 -173.69 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -127.45 131.48 50.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' GLY . 10.9 ttp180 -71.8 116.09 11.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.39 -11.46 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -63.23 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.2 -25.71 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.8 4.31 28.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 125.9 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.529 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.8 m -107.65 115.14 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.53 -174.81 18.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -96.68 131.03 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.0 p90 -134.82 132.97 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.05 149.14 36.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.74 -36.09 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.8 -26.3 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 36.8 m-85 -108.89 42.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -179.66 161.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -133.91 133.83 41.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG23 ' CE1' ' A' ' 65' ' ' PHE . 27.5 m -136.56 140.98 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -94.66 119.61 33.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' ALA . 18.6 mm -67.2 107.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 38.9 p -60.67 -52.79 63.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -121.82 153.96 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.99 133.18 55.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -106.86 142.7 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -112.41 116.03 29.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.82 131.36 45.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.59 -34.4 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -97.82 -173.41 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.41 -6.83 49.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -100.55 -20.12 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 49.9 mt-10 -78.08 160.66 27.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.446 HG11 ' CA ' ' A' ' 63' ' ' GLY . 4.5 p -137.93 136.61 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -76.7 133.2 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 22' ' ' ILE . 2.8 mt -127.04 159.04 35.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.0 173.7 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' CG ' ' O ' ' A' ' 23' ' ' THR . 1.6 tm0? -71.24 130.53 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.36 48.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 150.47 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -105.08 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.88 129.7 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.6 tp -86.68 109.82 19.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.64 139.81 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 12.8 mt -120.88 -40.73 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.35 119.02 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -97.01 113.64 25.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.7 tt0 -122.28 116.2 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.6 t0 -39.43 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.38 -41.62 1.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.483 ' CZ3' ' HG2' ' A' ' 33' ' ' GLU . 36.8 m95 -142.09 148.53 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.635 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.89 116.99 28.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -89.25 143.84 26.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.69 -173.57 37.3 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -124.48 129.78 51.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' GLY . 31.1 ttp180 -75.52 96.94 3.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.7 -26.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ttt-85 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -115.57 -25.69 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.72 4.87 22.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -59.73 129.26 41.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.543 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 2.0 m -113.74 114.42 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.446 ' CA ' HG11 ' A' ' 34' ' ' VAL . . . -146.43 -174.68 18.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 75.5 m95 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 p90 -121.92 131.8 24.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.1 Cg_endo -74.97 154.53 42.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.13 -35.14 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -21.75 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 32.2 m-85 -108.13 21.72 16.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.77 170.77 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 111.51 7.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.575 HG23 ' CE1' ' A' ' 65' ' ' PHE . 2.6 m -134.93 146.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -108.52 115.33 29.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' ALA . 6.6 mm -55.58 133.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.2 p -93.61 -40.28 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.1 150.49 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.96 133.06 38.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.0 t80 -116.33 82.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -60.95 113.7 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.63 138.81 55.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.59 -30.15 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 14.0 mt-30 -98.83 -175.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.3 -7.14 39.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.25 -26.08 16.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.08 178.91 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -150.73 134.73 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -69.16 133.77 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 6.8 mt -131.24 167.19 19.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -121.34 174.56 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 23' ' ' THR . 1.3 tm0? -73.07 124.18 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 75.36 47.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.57 125.02 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -83.33 135.89 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -135.72 132.23 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 7.1 tp -86.97 109.75 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.47 139.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.4 mt -117.83 -40.34 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.27 126.52 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -101.98 112.87 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tt0 -120.7 113.65 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -38.63 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.81 -40.73 1.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.417 ' O ' ' O ' ' A' ' 48' ' ' GLU . 55.2 m95 -142.06 144.97 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.637 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.82 122.74 44.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 32.4 t80 -93.58 143.06 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.23 -175.15 37.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.1 tm-20 -124.86 132.29 53.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLY . 13.7 ttp180 -72.55 115.13 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.54 -11.61 45.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.88 -65.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -114.23 -25.85 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.32 10.77 21.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 122.42 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.502 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.7 m -104.33 115.07 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.31 -174.8 18.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.4 m95 -97.4 123.35 41.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.8 p90 -126.45 132.68 24.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 154.58 42.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.96 -35.65 62.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -22.56 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 35.6 m-85 -110.81 27.37 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -161.1 166.4 28.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -137.49 133.9 35.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 65' ' ' PHE . 13.2 m -138.04 140.82 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -101.09 118.3 36.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 8.5 mm -61.35 130.94 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -91.94 -23.12 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -148.09 147.89 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.41 130.9 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 10.7 t80 -113.4 85.54 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -63.68 98.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB1' ' N ' ' A' ' 34' ' ' VAL . . . -54.38 141.57 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.36 -29.91 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 6.1 mm100 -96.35 -176.37 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.01 -6.66 41.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.66 -25.94 17.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 18.8 mt-10 -81.95 175.14 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.415 ' N ' ' HB1' ' A' ' 28' ' ' ALA . 2.4 p -144.87 136.21 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.448 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 45.0 m -67.54 133.2 49.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mt -130.53 168.43 17.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -126.87 176.58 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -71.87 125.06 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 72.44 48.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.96 126.24 54.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.5 t -83.59 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG13 ' CD2' ' A' ' 65' ' ' PHE . 46.5 t -138.86 129.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 39.1 tp -87.69 109.8 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.66 139.5 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.9 mt -119.75 -40.42 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 122.4 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -99.26 117.77 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.1 tt0 -124.56 114.45 19.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -39.03 102.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.99 -41.73 1.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.457 ' CZ3' ' HG2' ' A' ' 33' ' ' GLU . 28.6 m95 -141.95 148.36 38.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.639 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.4 128.69 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.6 t80 -100.29 143.64 30.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.31 -175.03 38.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -122.85 126.05 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 39.8 ttp180 -71.14 96.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.76 -25.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 56' ' ' ARG . 10.4 ttt180 -43.59 -65.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.29 -25.64 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 111.42 10.55 19.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.91 128.01 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.526 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -108.35 113.49 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.97 -174.9 18.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 74.0 m95 -97.64 122.4 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.8 p90 -124.23 133.53 24.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.98 153.72 42.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' CB ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.47 -34.7 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -21.59 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 59.4 m-85 -108.88 20.29 18.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.02 168.58 24.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -139.38 110.85 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 65' ' ' PHE . 22.1 m -136.36 140.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.54 123.81 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 20.7 mm -68.33 119.67 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -76.23 -30.88 58.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -147.26 151.74 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.48 140.89 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.2 t80 -120.51 81.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -56.03 111.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.88 137.25 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.76 -34.36 6.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -94.9 -179.31 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.03 -6.76 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -22.17 17.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -84.94 173.74 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 35' ' ' THR . 2.7 p -144.14 139.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 34' ' ' VAL . 80.6 m -75.6 132.21 40.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 4.9 mt -127.67 167.19 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -119.96 174.83 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -70.92 128.25 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.22 45.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.65 133.09 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.62 140.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.3 t -137.94 130.9 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 40.6 tp -86.52 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 45' ' ' LEU . 88.3 t -61.04 146.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.0 mt -128.14 -42.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -140.36 119.0 12.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -96.66 116.84 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -124.16 113.5 18.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -37.86 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.25 -41.16 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 48' ' ' GLU . 46.0 m95 -142.2 148.17 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.636 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.14 125.01 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.2 t80 -95.7 142.55 27.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -165.98 -175.43 36.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.5 tt0 -126.56 124.68 40.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLY . 14.9 ttp180 -64.67 116.54 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.82 -11.51 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -62.69 -65.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -113.99 -25.7 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.78 11.83 20.07 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 124.31 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.45 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.1 m -106.39 114.63 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.37 -175.0 19.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.3 m95 -96.75 116.86 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.1 p90 -119.26 133.4 23.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.07 151.87 39.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -73.16 -35.83 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -52.56 -22.23 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 58.7 m-85 -108.77 25.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -157.64 163.49 38.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -132.47 114.39 14.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 65' ' ' PHE . 21.7 m -128.25 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.25 120.19 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 41.7 mm -66.54 111.9 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -139.01 152.73 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 145.6 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.7 t80 -126.26 81.84 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -58.7 118.24 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 134.5 46.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.18 -35.28 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.22 -175.53 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -6.35 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.35 -11.25 22.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -90.86 173.9 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.32 135.07 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 90.8 m -73.93 134.1 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mt -126.98 173.88 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -126.05 166.4 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -65.18 127.04 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 69.63 48.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -109.36 149.65 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.81 138.96 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.2 t -139.84 127.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.2 tp -86.72 109.95 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 45' ' ' LEU . 84.2 t -60.18 139.43 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 16.9 mt -120.15 -40.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.77 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -92.1 117.34 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.8 tt0 -124.87 115.68 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 m-20 -39.37 102.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.11 -48.26 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' GLU . 67.3 m95 -131.26 139.62 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.622 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.3 119.37 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 44.3 t80 -90.39 144.19 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.9 -171.34 32.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.4 tm-20 -126.82 106.76 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 60' ' ' GLY . 44.9 ttp180 -59.97 91.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.442 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 1.4 mm? -38.94 -44.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HB3' ' HG2' ' A' ' 56' ' ' ARG . 42.3 ttt85 -35.77 -65.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -112.3 23.97 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 41.67 27.48 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -82.74 133.48 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.568 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -108.58 110.1 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -175.07 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.7 m95 -96.5 127.13 42.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.638 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.8 p90 -131.04 132.75 24.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 146.73 32.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.98 -35.71 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.11 -26.49 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 26.9 m-85 -107.2 39.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -174.75 156.72 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -127.21 114.62 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 65' ' ' PHE . 27.5 m -127.62 141.34 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.13 116.07 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.405 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 45.9 mm -63.64 106.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.0 p -60.91 -49.81 75.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -128.05 154.72 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 145.54 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -122.59 86.56 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.28 97.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.34 133.53 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.25 -34.2 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 4.1 mt-30 -93.48 177.83 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -6.06 55.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.71 -22.01 17.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 38.8 mt-10 -83.17 171.62 13.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -142.92 139.6 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -72.02 136.26 46.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 1.8 mt -131.91 158.59 40.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -110.65 161.38 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -63.13 127.5 31.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 70.77 47.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.74 153.89 22.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.9 t -107.1 141.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.4 t -143.85 128.58 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' GLU . 10.9 tp -86.66 109.61 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 45' ' ' LEU . 89.7 t -59.54 139.91 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' N ' HG11 ' A' ' 44' ' ' VAL . 15.2 mt -119.17 -40.5 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.17 122.13 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -98.88 115.16 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.7 tt0 -123.22 115.67 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.6 t0 -39.39 102.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.37 -42.14 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 33' ' ' GLU . 36.6 m95 -141.58 147.55 37.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.638 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.74 118.63 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 49.5 t80 -91.43 142.64 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.15 -171.98 31.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' LEU . 2.0 tt0 -125.17 129.13 49.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.7 ttp85 -72.23 112.5 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.9 -14.42 34.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 3.6 ttt-85 -57.31 -66.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -117.52 -25.69 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 116.04 -0.21 21.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.2 125.46 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.427 HG21 ' CZ ' ' A' ' 53' ' ' TYR . 2.6 m -108.78 116.24 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -146.46 -174.95 19.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.504 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.2 m95 -98.02 120.73 38.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 p90 -123.02 132.52 24.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.92 153.51 42.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.78 -35.74 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -23.25 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 37.9 m-85 -110.01 29.2 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -160.71 165.41 30.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -133.3 109.2 9.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.46 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 4.3 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 ' CE1' ' A' ' 65' ' ' PHE . 10.2 m -135.54 137.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -92.96 118.6 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' ALA . 43.0 mm -65.5 108.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.5 p -64.93 -35.35 80.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -143.36 148.72 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.8 157.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 4.1 t80 -140.95 85.44 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -60.6 111.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 132.86 49.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -29.83 8.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.65 178.22 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -4.98 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.07 -15.03 14.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.514 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 92.7 mt-10 -81.35 161.31 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.15 139.97 46.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 55.4 m -74.04 134.27 42.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 5.7 mt -129.56 161.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.74 176.1 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -73.17 127.07 31.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 71.76 46.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.79 133.91 53.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.68 139.5 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.2 t -135.66 132.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.8 tp -86.98 109.95 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 45' ' ' LEU . 78.0 t -60.38 139.32 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.582 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.1 mt -120.91 -40.99 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.71 116.69 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -93.52 114.12 26.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.9 tt0 -122.02 115.67 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 m-20 -39.42 102.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.65 -45.75 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.514 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 68.1 m95 -133.94 140.34 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.629 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.89 115.49 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 52.1 t80 -87.66 142.54 27.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -163.93 -170.28 28.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -129.16 128.36 43.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.6 ttp180 -68.98 116.34 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.1 -11.6 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -62.46 -65.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 61' ' ' GLU . 9.5 t70 -113.33 -25.53 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 2.75 28.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' OE1' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -56.78 127.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.582 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -107.03 115.63 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -174.74 19.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.4 m95 -95.57 137.06 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.6 p90 -141.32 131.96 13.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 149.05 36.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.466 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.35 -36.0 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.93 -24.06 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 51.0 m-85 -110.06 35.97 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -172.04 163.35 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -138.56 129.78 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 65' ' ' PHE . 12.4 m -137.19 140.24 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -98.39 117.22 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' ALA . 28.2 mm -61.78 118.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.5 p -76.43 -42.47 43.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -126.83 152.38 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.37 121.63 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -94.68 133.97 37.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -106.81 104.21 13.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.99 137.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -114.99 -36.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -98.16 176.42 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.75 -9.48 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -116.11 49.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 76.2 mt-10 -135.56 163.44 30.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG13 ' CA ' ' A' ' 63' ' ' GLY . 6.2 p -134.38 134.38 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.9 m -80.54 131.51 35.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.403 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 2.2 mt -122.56 164.76 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.86 126.86 30.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 73.01 49.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.2 141.28 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.9 t -95.92 137.68 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.4 t -139.34 129.54 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' GLU . 33.4 tp -86.86 109.67 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.8 135.14 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.581 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 7.1 mt -116.19 -42.35 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.02 111.49 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -87.34 110.38 20.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 51' ' ' TRP . 3.8 tp10 -117.26 141.59 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.99 102.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -35.01 3.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 66.2 m95 -142.43 140.83 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.643 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.78 112.35 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.2 t80 -83.17 141.35 32.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -162.59 -170.52 27.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -128.39 120.74 27.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 60' ' ' GLY . 24.6 ttp180 -64.03 115.74 5.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.34 -25.65 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -43.2 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -26.44 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 114.32 21.28 5.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.61 124.82 25.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.581 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -106.4 113.32 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.437 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -146.58 -174.85 19.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.0 m95 -96.49 124.29 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.62 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.6 p90 -129.55 132.56 24.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.0 151.31 39.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' CB ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.68 -35.31 70.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -27.22 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 24.4 m-85 -102.25 22.46 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -154.7 170.05 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -137.62 111.76 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 111.044 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 65' ' ' PHE . 26.3 m -120.28 140.81 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -96.7 120.3 36.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' ALA . 24.0 mm -67.23 130.39 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -87.99 -25.71 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.42 144.65 24.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.08 138.16 16.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.4 t80 -117.74 84.83 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -56.57 115.89 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 133.98 51.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -34.93 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.63 -173.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.17 -9.23 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -99.1 -14.42 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -84.39 159.28 20.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 61' ' ' GLU . 2.5 p -133.06 135.91 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -72.82 132.24 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 3.8 mt -126.01 170.54 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -125.08 171.11 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -66.2 128.8 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 67.89 49.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -113.21 131.97 55.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.474 ' CG1' HD12 ' A' ' 57' ' ' LEU . 85.0 t -92.54 139.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.86 134.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' GLU . 7.1 tp -88.25 109.72 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.1 t -60.24 139.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.552 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.82 -40.78 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.12 122.38 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -99.58 112.19 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.6 tp10 -119.96 115.5 23.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -38.11 102.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.69 -40.84 1.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.404 ' O ' ' O ' ' A' ' 48' ' ' GLU . 54.7 m95 -141.44 149.26 40.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.636 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.78 113.75 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 37.5 t80 -85.37 143.76 28.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.48 -174.54 36.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 0.1 OUTLIER -129.24 122.3 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' GLY . 17.0 ttp180 -62.28 117.61 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' A' ' 41' ' ' VAL . 4.1 mt -68.09 -11.2 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -62.72 -64.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.03 -25.65 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.88 9.63 24.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.3 mt-10 -60.77 125.7 24.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.552 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -109.58 110.28 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.36 -175.2 19.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 84.8 m95 -93.71 127.83 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.8 p90 -131.66 132.08 23.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.0 Cg_endo -75.04 152.68 40.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.36 -35.8 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -21.12 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.8 m-85 -110.62 28.36 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.96 161.92 28.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -131.62 112.88 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.238 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 65' ' ' PHE . 4.3 m -140.84 150.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.93 121.94 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 32.8 mm -66.21 129.07 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.9 p -89.42 -23.4 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -150.52 148.21 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . . . -56.34 134.15 53.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.56 85.07 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -59.27 105.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.31 133.68 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -107.85 -33.58 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt-30 -89.04 -176.74 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.72 -1.46 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.88 -20.68 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.78 -177.63 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -152.52 131.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 95.5 m -66.75 132.7 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 4.5 mt -128.24 171.84 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 25' ' ' ALA . 80.4 mm-40 -125.44 177.08 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -73.96 127.91 34.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.54 40.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.84 130.14 51.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 t -90.54 135.39 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.72 131.43 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 8.5 tp -86.48 109.24 18.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 45' ' ' LEU . 94.3 t -61.03 139.12 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.7 mt -120.98 -40.99 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 118.38 11.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -95.65 115.77 27.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.0 tt0 -125.18 115.6 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 t0 -39.71 103.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.73 -43.09 1.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' GLU . 39.0 m95 -140.94 145.58 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.637 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.36 118.39 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 62' ' ' THR . 48.4 t80 -89.69 142.9 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.74 -174.32 35.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -124.12 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 60' ' ' GLY . 40.8 ttp180 -60.45 106.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.66 -24.24 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' A' ' 56' ' ' ARG . 21.2 ttt180 -43.93 -66.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -26.17 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 112.07 17.59 8.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 128.85 37.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.53 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -107.59 113.26 26.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.34 -175.0 18.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.2 m95 -96.83 118.86 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.9 p90 -122.36 132.65 24.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.05 152.15 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.472 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.86 -35.82 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -22.77 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 43.8 m-85 -109.81 31.69 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -165.75 159.39 16.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 11.1 mtp-105 -127.73 113.07 15.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CZ ' ' A' ' 65' ' ' PHE . 12.5 m -131.54 144.8 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -101.36 116.34 32.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 9.2 mm -65.07 101.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 15.5 p -56.68 -47.06 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 22.3 pttt -134.92 143.6 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.9 154.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.3 t80 -135.7 80.87 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -54.03 106.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.42 133.22 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.73 -34.48 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 34.9 mt-30 -86.54 -178.5 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.86 -2.74 46.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -18.64 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -84.61 165.97 17.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 63' ' ' GLY . 2.1 p -139.98 132.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -67.03 129.95 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mt -123.36 159.35 29.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -109.84 162.44 14.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -63.66 126.75 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.53 50.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.06 138.29 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.81 139.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.5 t -137.99 138.69 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 19.3 tp -90.28 110.08 21.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.09 139.06 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.0 mt -120.03 -40.73 2.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.38 133.4 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.44 120.64 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -127.68 115.7 19.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -37.84 102.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.09 -42.64 1.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.426 ' O ' ' O ' ' A' ' 48' ' ' GLU . 44.4 m95 -142.22 159.44 42.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.649 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.15 139.77 52.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' A' ' 62' ' ' THR . 30.6 t80 -110.18 144.38 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.48 -175.28 36.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.4 tt0 -126.16 114.22 18.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' GLY . 10.9 ttp180 -56.84 116.22 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.32 -14.64 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -57.78 -65.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -25.38 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.47 -3.29 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.04 124.03 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.443 HG21 ' CZ ' ' A' ' 53' ' ' TYR . 2.3 m -104.92 113.19 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.41 -175.04 19.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -99.12 119.34 37.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.7 p90 -114.95 140.39 25.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.584 ' HG2' ' CD2' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.96 149.2 36.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -77.04 -36.11 56.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.86 -31.15 37.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 7.0 m-30 -108.59 33.52 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . . . -150.41 151.0 32.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.473 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 15.5 mtm180 -121.94 106.37 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG22 ' CE1' ' A' ' 65' ' ' PHE . 8.4 m -128.15 135.02 63.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -94.48 116.18 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 35.8 mm -62.33 131.44 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 76.4 p -88.0 -46.87 8.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -121.37 151.14 40.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 125.26 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -102.6 131.98 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.78 109.33 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.81 120.77 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -95.58 -30.18 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 5.0 mt-30 -94.43 158.03 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.35 -6.33 47.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -28.36 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -76.41 172.17 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.534 ' CG2' ' HG2' ' A' ' 61' ' ' GLU . 2.1 p -140.15 128.73 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.444 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 96.3 m -76.39 127.37 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -120.39 177.76 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -133.79 161.06 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 23' ' ' THR . 1.5 tt0 -56.99 123.47 15.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 72.68 47.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.96 135.13 54.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.9 138.82 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -135.88 134.26 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 20.7 tp -86.01 110.66 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 45' ' ' LEU . 57.7 t -66.81 146.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.607 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 4.5 mt -125.15 -40.62 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.53 121.81 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -99.01 108.47 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -118.95 118.08 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.09 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.63 -50.7 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.426 ' CZ3' ' HD3' ' A' ' 66' ' ' PRO . 52.4 m95 -132.54 142.84 49.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.635 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.68 111.4 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 18.6 t80 -78.59 143.37 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -171.15 179.3 43.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 2.0 tm-20 -120.71 117.3 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' GLY . 28.0 ttp180 -67.26 108.62 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.33 -27.49 47.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 7.5 ttt180 -41.13 -66.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -112.23 -26.5 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 100.88 30.87 5.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HG2' ' CG2' ' A' ' 34' ' ' VAL . 4.9 tt0 -92.58 123.39 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.607 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.04 116.54 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.32 -174.89 19.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 82.5 m95 -97.94 116.13 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.621 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.0 p90 -118.75 132.71 23.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.9 146.92 33.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CB ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -66.55 -36.24 82.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -30.42 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 14.4 m-85 -104.56 37.35 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -170.1 156.42 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mtp-105 -126.29 112.69 16.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 65' ' ' PHE . 22.7 m -123.55 140.34 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.21 119.06 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 39' ' ' ALA . 28.1 mm -65.65 118.36 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 p -74.51 -30.81 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 1.8 pttt -148.68 146.2 28.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.53 155.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 6.6 t80 -137.94 84.05 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -59.76 105.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.45 142.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -111.72 -33.37 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -109.99 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.18 -8.01 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.01 -12.98 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -85.36 150.91 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.474 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 1.6 p -122.91 146.77 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 86.1 m -81.36 129.74 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HA ' ' NH1' ' A' ' 56' ' ' ARG . 3.7 mt -124.73 165.26 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.0 177.04 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -72.16 127.57 32.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.03 45.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -110.54 129.85 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 57' ' ' LEU . 97.7 t -94.28 128.63 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.96 138.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLU . 8.0 tp -86.49 109.4 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 45' ' ' LEU . 96.0 t -61.04 140.62 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' N ' HG12 ' A' ' 44' ' ' VAL . 17.7 mt -120.78 -41.61 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.3 122.38 13.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -99.55 107.75 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 51' ' ' TRP . 1.3 tt0 -116.2 116.7 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -39.27 103.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.31 -43.6 1.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.417 ' O ' ' O ' ' A' ' 48' ' ' GLU . 56.1 m95 -140.14 145.84 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.641 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 113.89 22.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.8 t80 -85.88 143.82 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -161.82 -175.46 32.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.77 105.0 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.456 ' O ' ' HA2' ' A' ' 60' ' ' GLY . 2.5 ttp180 -38.1 145.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 41' ' ' VAL . 12.3 mt -97.19 -11.67 23.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -63.66 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -27.29 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 56' ' ' ARG . . . 120.83 -1.22 12.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -42.58 124.96 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -112.0 109.65 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -147.61 -174.99 20.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.9 m95 -95.74 129.47 42.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.63 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.7 p90 -130.96 131.65 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 153.39 41.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.33 -35.63 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.99 -21.52 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.0 m-85 -111.11 27.54 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -159.34 158.25 31.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -128.15 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 65' ' ' PHE . 12.1 m -121.22 136.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.62 117.32 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 39' ' ' ALA . 21.7 mm -64.57 130.27 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -87.67 -41.97 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.73 153.43 45.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.85 21.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -103.43 117.22 33.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -85.85 110.89 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.07 124.51 25.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -104.11 -30.27 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 mt-30 -84.01 174.97 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.82 -0.28 57.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.5 OUTLIER -111.53 -17.29 13.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.13 164.06 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.54 ' CG2' ' HG2' ' A' ' 61' ' ' GLU . 2.6 p -134.64 129.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.497 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 2.0 m -71.87 130.99 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -124.89 174.4 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -133.81 161.84 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -58.5 123.54 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 73.44 47.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.29 139.7 49.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.01 138.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.6 t -135.82 135.06 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 29.6 tp -85.77 110.18 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 45' ' ' LEU . 72.6 t -65.13 139.55 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.627 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 5.8 mt -121.68 -41.33 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 111.91 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -89.08 112.28 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.7 tt0 -120.04 130.96 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.64 -39.53 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 48' ' ' GLU . 66.6 m95 -140.77 135.62 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.627 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.78 115.85 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -82.87 145.4 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -172.52 -174.58 39.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -125.84 123.26 38.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 60' ' ' GLY . 19.4 ttp180 -71.58 106.53 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -54.94 -19.31 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 1.8 ttt85 -51.48 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.71 -26.19 9.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 99.31 26.94 8.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HG2' ' CG2' ' A' ' 34' ' ' VAL . 2.1 tt0 -91.1 119.37 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.627 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -89.47 118.87 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.7 -174.64 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.496 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 81.1 m95 -97.35 129.89 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.627 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.4 p90 -135.96 132.06 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -74.99 150.54 38.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.36 -35.5 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -30.33 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 9.5 m-85 -101.56 26.28 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -155.97 163.97 39.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -133.38 107.73 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 65' ' ' PHE . 35.1 m -119.74 137.68 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.85 118.21 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 35.3 mm -62.85 125.45 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.6 p -83.19 -30.48 27.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -145.46 151.39 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.09 137.83 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 11.3 t80 -118.13 84.42 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -59.75 108.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 131.82 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.38 -33.61 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.6 mm-40 -96.55 -173.71 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.62 -5.76 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.52 -13.1 19.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -91.08 173.43 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -144.41 139.06 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.3 m -71.99 134.68 46.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -131.44 164.46 25.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -118.8 173.57 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -71.44 126.97 31.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.7 48.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -111.5 134.99 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 57' ' ' LEU . 87.1 t -94.32 137.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.8 t -137.09 135.02 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 24.2 tp -87.58 109.7 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.74 139.83 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.0 mt -118.67 -40.47 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 123.12 14.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -101.13 113.79 27.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.2 tp10 -120.65 116.19 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -38.94 102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.95 -48.68 0.96 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.415 ' O ' ' O ' ' A' ' 48' ' ' GLU . 41.4 m95 -134.94 148.44 50.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.75 130.01 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.7 t80 -103.51 143.46 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.84 -172.97 34.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.4 tm-20 -127.97 108.28 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.496 ' HD2' ' CB ' ' A' ' 58' ' ' ARG . 34.3 ttp180 -55.37 117.4 3.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 41' ' ' VAL . 3.8 mt -66.15 -21.53 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -45.51 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.08 -14.74 10.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 97.98 24.86 11.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -76.34 131.04 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.406 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -110.66 110.64 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.438 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.67 -175.19 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 73.3 m95 -97.44 115.96 28.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.619 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.2 p90 -117.66 132.88 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.97 154.52 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -76.41 -35.03 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -20.3 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 46.3 m-85 -108.81 17.73 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -150.82 170.9 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 11.8 mtp-105 -138.56 112.21 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 2.4 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.33 78.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t 63.06 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -175.9 47.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.5 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -159.65 85.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.2 -147.52 6.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -81.57 152.0 27.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -55.65 -49.7 72.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.91 -66.79 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 mt 61.24 83.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.64 152.75 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -102.78 120.98 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.95 162.03 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.74 -84.29 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -121.91 29.97 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -51.32 158.26 1.41 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 141.71 27.19 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -127.55 141.02 51.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 65' ' ' PHE . 24.8 m -129.27 140.75 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -95.06 117.65 30.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 24.2 mm -64.99 110.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 73.4 p -65.92 -38.42 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 3.9 pttp -139.28 150.25 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.67 149.14 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.2 t80 -129.95 82.3 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.76 119.08 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.65 131.55 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.81 -34.99 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 7.6 mt-30 -86.6 -174.75 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.99 -6.15 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.14 -26.68 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -72.81 144.01 47.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.54 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 3.5 p -115.81 144.2 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 88.7 m -80.37 129.47 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 1.9 mt -124.84 159.83 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -111.63 177.25 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 23' ' ' THR . 12.7 tt0 -75.58 126.23 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 70.08 48.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -104.79 177.68 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 t -131.03 133.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -137.63 130.33 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 15.8 tp -86.76 109.61 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.58 139.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 14.0 mt -121.98 -41.22 2.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.34 118.59 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -95.35 113.15 24.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.0 tt0 -120.23 115.3 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLU . 4.9 m-20 -38.67 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.57 -44.78 1.22 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 48' ' ' GLU . 58.2 m95 -135.15 143.74 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.01 116.15 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -87.66 142.67 27.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.36 -172.57 31.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -130.0 118.16 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.3 ttp180 -60.73 117.14 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.68 -18.64 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 13.3 ttt-85 -52.3 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.03 -26.02 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 8.86 23.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.24 127.85 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.55 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -107.93 113.33 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.447 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.447 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -146.54 -174.58 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -95.57 132.45 40.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.5 p90 -136.46 130.78 18.18 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.06 153.52 41.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.81 -35.55 64.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -22.62 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.9 m-85 -107.13 24.3 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.23 168.95 25.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -136.77 111.37 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -52.98 106.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -62.96 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.13 122.99 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.06 -71.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 62.03 5.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 m -50.06 170.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.01 -58.38 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -86.61 152.21 22.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -162.2 158.56 24.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.91 141.73 3.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.71 171.32 3.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m 68.15 153.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.53 154.65 31.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -82.75 112.02 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -122.9 102.99 8.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.45 125.04 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.01 62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.53 167.33 8.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.057 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -103.84 146.24 28.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -129.33 106.19 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.59 -45.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -18.31 14.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 mt -57.47 160.91 6.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.66 42.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -140.58 144.83 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG22 ' CE1' ' A' ' 65' ' ' PHE . 18.3 m -132.75 141.62 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -97.74 118.23 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 40.2 mm -65.4 112.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.4 p -69.72 -34.87 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 11.5 pttt -142.22 151.14 41.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.21 147.84 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.1 t80 -127.99 80.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -56.48 114.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.09 137.16 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.5 -34.54 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.7 mt-30 -94.22 178.24 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.41 -7.3 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.63 -19.73 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -85.29 172.09 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.75 138.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.0 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 2.5 mt -130.48 166.65 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -119.27 166.4 13.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -65.63 127.13 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.62 46.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.06 148.84 30.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.91 140.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.6 t -139.64 129.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 29.8 tp -86.8 109.82 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 45' ' ' LEU . 82.7 t -60.43 139.83 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.0 mt -120.0 -40.54 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.3 120.54 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -97.89 113.3 25.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tp10 -120.93 115.3 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -38.86 103.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.81 -41.38 1.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLU . 51.9 m95 -141.61 147.78 38.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 119.63 35.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 39.7 t80 -91.73 143.44 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.16 -173.5 35.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.3 tm-20 -127.41 129.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' GLY . 9.6 ttp180 -69.3 117.27 10.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.58 -11.57 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -62.61 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.43 -25.63 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.09 8.09 26.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.31 126.84 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.605 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -107.97 113.37 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -176.05 19.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 80.2 m95 -94.84 129.54 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.62 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.9 p90 -133.06 132.26 22.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.02 152.88 41.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.762 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.73 -35.53 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -24.86 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 44.2 m-85 -107.49 32.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.56 163.77 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -134.0 113.46 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -53.19 105.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mt -59.34 -66.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 109.18 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.8 -154.13 11.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 111.65 3.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -167.54 103.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 157.78 27.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.42 127.72 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.69 161.64 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.59 93.59 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -167.9 90.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.67 131.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.84 -106.81 1.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -151.56 88.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -85.84 135.65 33.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.98 129.66 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.88 79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.71 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -53.22 157.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.12 152.52 11.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 40.68 73.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.26 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.4 mt -112.15 160.74 28.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 157.86 42.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -137.46 140.82 41.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.556 HG22 ' CE1' ' A' ' 65' ' ' PHE . 15.7 m -131.57 142.31 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.67 120.64 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 9.9 mm -63.52 127.46 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.9 p -87.86 -21.17 25.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -152.29 145.92 24.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.17 129.77 39.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -111.42 90.7 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -63.78 98.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HB1' ' N ' ' A' ' 34' ' ' VAL . . . -43.12 134.63 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -34.61 6.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mt-30 -93.75 -174.66 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.71 -8.78 39.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -22.08 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -74.28 174.79 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' N ' ' HB1' ' A' ' 28' ' ' ALA . 2.5 p -148.14 138.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.6 m -68.52 133.39 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 3.7 mt -130.95 167.49 18.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -122.62 176.66 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -73.29 125.29 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 72.81 46.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.75 130.04 55.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.8 139.28 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.93 131.43 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLU . 6.6 tp -86.73 109.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.34 139.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.36 -40.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.58 122.98 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -100.52 113.34 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -120.67 114.81 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 t70 -38.82 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.55 -40.73 1.7 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' GLU . 53.0 m95 -142.15 147.71 37.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.91 122.52 43.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 49.7 t80 -95.12 143.68 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.54 -171.69 32.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -127.27 130.06 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.8 ttp180 -70.89 114.5 9.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.58 -11.69 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -61.53 -65.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -112.63 -25.54 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.06 5.15 29.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 129.5 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.601 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -108.15 114.8 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.64 -174.58 18.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.0 m95 -95.93 138.17 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.619 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 p90 -141.86 132.13 12.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 154.25 42.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' CB ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.74 -34.95 62.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.57 -22.76 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 41.3 m-85 -108.64 18.81 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 22' ' ' ILE . . . -147.93 165.77 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -136.49 110.88 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -56.1 103.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.2 mt -56.27 -56.01 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.77 118.81 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.48 -85.96 0.06 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -123.82 118.85 28.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 p -113.59 -32.36 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.47 119.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.33 164.65 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.19 -151.43 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -176.87 114.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.74 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.43 -58.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.87 87.04 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.8 m95 65.18 115.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -103.69 155.47 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.08 86.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -58.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.799 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.18 172.51 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m 69.38 -66.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 146.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.62 -102.4 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -124.24 68.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.0 mt -72.39 160.85 81.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 143.24 28.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -125.42 150.15 47.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.572 HG22 ' CE1' ' A' ' 65' ' ' PHE . 15.5 m -137.41 143.18 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -102.22 119.91 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 14.9 mm -64.64 123.93 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -80.73 -26.1 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.1 pttt -151.09 148.23 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.95 138.25 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.6 t80 -122.34 86.92 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.73 114.1 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.412 ' HB2' ' N ' ' A' ' 34' ' ' VAL . . . -59.73 131.95 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.79 -35.29 7.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mm-40 -93.05 -177.44 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.06 -7.25 49.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -21.51 14.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -69.76 -176.45 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 ' N ' ' HB2' ' A' ' 28' ' ' ALA . 2.7 p -157.98 131.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 92.4 m -67.57 133.42 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 6.7 mt -128.91 171.27 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -125.13 177.03 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.78 125.69 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.65 48.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.39 131.28 55.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.03 141.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 HG11 ' CD2' ' A' ' 65' ' ' PHE . 41.9 t -138.81 129.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 4.9 tp -87.59 109.48 19.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.87 137.53 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.4 mt -119.41 -41.14 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.29 119.06 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -95.84 113.29 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 5.8 tt0 -120.04 113.99 21.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.4 m-20 -38.35 102.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.97 -39.32 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' GLU . 55.9 m95 -140.66 145.45 36.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.638 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.43 115.83 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -88.37 143.92 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.35 -171.15 33.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.6 tt0 -127.17 119.59 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' GLY . 42.0 ttp180 -66.5 101.6 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.21 -21.66 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -47.26 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.2 -25.54 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.49 11.01 22.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 125.94 28.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.58 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.2 m -104.7 113.1 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.14 -174.96 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -95.28 132.32 40.41 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.1 p90 -136.12 132.04 19.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.98 153.16 41.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.66 -35.02 65.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -22.4 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 45.3 m-85 -109.12 20.36 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . . . -151.3 168.35 25.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.37 109.96 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -52.86 103.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.85 -54.94 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.05 132.39 20.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.66 -68.38 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.01 21.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -147.43 -60.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.9 p -87.12 132.05 33.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 p -169.92 149.0 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -153.04 -60.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 -137.47 4.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -160.42 150.32 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -105.3 165.79 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.13 155.5 4.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.19 93.45 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -70.34 103.49 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.88 -61.42 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.81 83.64 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.76 119.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -64.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? 66.35 177.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.88 153.18 7.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 40.45 72.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 mt -110.76 161.02 26.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -119.09 143.31 47.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 65' ' ' PHE . 16.9 m -131.9 139.45 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.42 118.5 33.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 41.8 mm -64.25 108.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -64.82 -37.6 88.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -140.06 150.92 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.28 158.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 6.3 t80 -143.29 80.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -63.53 102.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' A' ' 34' ' ' VAL . . . -57.16 141.11 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.2 -33.47 7.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.2 mm-40 -93.58 -173.76 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.84 -6.07 33.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.27 -20.75 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -86.52 175.0 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' ALA . 3.2 p -144.76 144.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 6.1 mt -133.46 158.84 42.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -113.72 165.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -63.52 127.64 32.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.45 49.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.82 139.66 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.2 t -93.81 144.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -143.54 128.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 14.5 tp -86.76 109.85 19.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.41 139.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.4 mt -118.9 -40.07 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 117.99 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.3 117.35 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.9 tp10 -124.47 114.92 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' GLU . 12.6 m-20 -38.89 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.74 -44.99 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' GLU . 68.8 m95 -134.8 139.02 44.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.62 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.74 118.74 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CZ ' HG23 ' A' ' 62' ' ' THR . 39.3 t80 -88.64 144.21 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.98 -173.69 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -127.45 131.48 50.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' GLY . 10.9 ttp180 -71.8 116.09 11.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.39 -11.46 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -63.23 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.2 -25.71 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.8 4.31 28.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 125.9 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.529 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.8 m -107.65 115.14 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.53 -174.81 18.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -96.68 131.03 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.0 p90 -134.82 132.97 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.05 149.14 36.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.74 -36.09 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.8 -26.3 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 36.8 m-85 -108.89 42.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -179.66 161.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -133.91 133.83 41.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -72.44 99.46 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.9 mt -55.21 -68.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.04 106.54 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.47 -156.72 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 p -132.03 154.47 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 m -130.14 133.25 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -161.55 157.7 25.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -162.14 147.09 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.13 128.24 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.61 140.53 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -162.51 147.7 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.63 -139.77 2.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -87.18 94.36 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.26 -57.3 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -67.98 1.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.0 101.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.57 81.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -61.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.72 146.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.71 -116.58 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.04 46.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.16 157.29 2.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.4 27.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -128.07 147.25 50.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG23 ' CE1' ' A' ' 65' ' ' PHE . 27.5 m -136.56 140.98 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -94.66 119.61 33.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' ALA . 18.6 mm -67.2 107.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 38.9 p -60.67 -52.79 63.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -121.82 153.96 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.99 133.18 55.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -106.86 142.7 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -112.41 116.03 29.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.82 131.36 45.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.59 -34.4 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -97.82 -173.41 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.41 -6.83 49.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -100.55 -20.12 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 49.9 mt-10 -78.08 160.66 27.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.446 HG11 ' CA ' ' A' ' 63' ' ' GLY . 4.5 p -137.93 136.61 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -76.7 133.2 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 22' ' ' ILE . 2.8 mt -127.04 159.04 35.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.0 173.7 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' CG ' ' O ' ' A' ' 23' ' ' THR . 1.6 tm0? -71.24 130.53 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.36 48.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 150.47 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -105.08 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.88 129.7 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.6 tp -86.68 109.82 19.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.64 139.81 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 12.8 mt -120.88 -40.73 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.35 119.02 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -97.01 113.64 25.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.7 tt0 -122.28 116.2 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.6 t0 -39.43 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.38 -41.62 1.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.483 ' CZ3' ' HG2' ' A' ' 33' ' ' GLU . 36.8 m95 -142.09 148.53 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.635 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.89 116.99 28.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -89.25 143.84 26.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.69 -173.57 37.3 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -124.48 129.78 51.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' GLY . 31.1 ttp180 -75.52 96.94 3.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.7 -26.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ttt-85 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -115.57 -25.69 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.72 4.87 22.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -59.73 129.26 41.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.543 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 2.0 m -113.74 114.42 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.446 ' CA ' HG11 ' A' ' 34' ' ' VAL . . . -146.43 -174.68 18.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 75.5 m95 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 p90 -121.92 131.8 24.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.1 Cg_endo -74.97 154.53 42.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.13 -35.14 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -21.75 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 32.2 m-85 -108.13 21.72 16.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.77 170.77 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 111.51 7.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.79 100.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.18 -63.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.7 p -129.87 128.96 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.19 -167.25 12.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.49 24.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.36 153.92 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.73 147.07 37.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.3 86.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.02 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.74 150.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.01 -120.66 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -164.36 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.755 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -125.19 -58.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.03 125.97 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.71 148.15 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' CA ' HD21 ' A' ' 11' ' ' LEU . 6.7 tt0 -152.87 146.41 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.27 55.71 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD21 ' CA ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -136.85 64.58 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 0.736 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.85 156.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -76.83 125.16 28.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -175.85 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.01 -110.24 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.65 70.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD21 ' CD ' ' A' ' 18' ' ' PRO . 18.2 mt -70.64 161.52 76.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' CD ' HD21 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.95 165.02 32.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -145.48 143.53 30.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.575 HG23 ' CE1' ' A' ' 65' ' ' PHE . 2.6 m -134.93 146.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -108.52 115.33 29.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' ALA . 6.6 mm -55.58 133.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.2 p -93.61 -40.28 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.1 150.49 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.96 133.06 38.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.0 t80 -116.33 82.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -60.95 113.7 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.63 138.81 55.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.59 -30.15 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 14.0 mt-30 -98.83 -175.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.3 -7.14 39.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.25 -26.08 16.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -79.08 178.91 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -150.73 134.73 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -69.16 133.77 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 6.8 mt -131.24 167.19 19.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -121.34 174.56 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 23' ' ' THR . 1.3 tm0? -73.07 124.18 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 75.36 47.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.57 125.02 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -83.33 135.89 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -135.72 132.23 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 7.1 tp -86.97 109.75 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.47 139.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.4 mt -117.83 -40.34 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.27 126.52 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -101.98 112.87 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tt0 -120.7 113.65 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -38.63 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.81 -40.73 1.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.417 ' O ' ' O ' ' A' ' 48' ' ' GLU . 55.2 m95 -142.06 144.97 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.637 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.82 122.74 44.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 32.4 t80 -93.58 143.06 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.23 -175.15 37.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.1 tm-20 -124.86 132.29 53.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLY . 13.7 ttp180 -72.55 115.13 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.54 -11.61 45.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.88 -65.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -114.23 -25.85 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.32 10.77 21.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 122.42 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.502 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.7 m -104.33 115.07 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.31 -174.8 18.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.4 m95 -97.4 123.35 41.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.8 p90 -126.45 132.68 24.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 154.58 42.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.96 -35.65 62.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -22.56 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 35.6 m-85 -110.81 27.37 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -161.1 166.4 28.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -137.49 133.9 35.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -75.14 98.83 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -50.11 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -150.0 102.81 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.64 -167.68 32.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 73.97 4.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.24 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.85 161.54 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.29 164.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 62.84 133.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.88 -74.42 0.93 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.48 151.92 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 0.8 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.48 128.04 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.76 78.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 61.39 46.23 7.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 62.11 77.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.67 87.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 tp -145.81 107.48 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.6 p -142.94 167.46 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -88.96 -58.49 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 77.13 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.06 171.13 17.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.57 75.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 mt -111.09 160.88 27.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.11 42.9 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -136.81 147.41 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 65' ' ' PHE . 13.2 m -138.04 140.82 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -101.09 118.3 36.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 8.5 mm -61.35 130.94 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -91.94 -23.12 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -148.09 147.89 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.41 130.9 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 10.7 t80 -113.4 85.54 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -63.68 98.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB1' ' N ' ' A' ' 34' ' ' VAL . . . -54.38 141.57 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.36 -29.91 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 6.1 mm100 -96.35 -176.37 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.01 -6.66 41.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.66 -25.94 17.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 18.8 mt-10 -81.95 175.14 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' N ' ' HB1' ' A' ' 28' ' ' ALA . 2.4 p -144.87 136.21 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.448 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 45.0 m -67.54 133.2 49.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mt -130.53 168.43 17.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -126.87 176.58 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -71.87 125.06 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 72.44 48.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.96 126.24 54.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.5 t -83.59 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG13 ' CD2' ' A' ' 65' ' ' PHE . 46.5 t -138.86 129.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 39.1 tp -87.69 109.8 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.66 139.5 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.9 mt -119.75 -40.42 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 122.4 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -99.26 117.77 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.1 tt0 -124.56 114.45 19.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -39.03 102.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.99 -41.73 1.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.457 ' CZ3' ' HG2' ' A' ' 33' ' ' GLU . 28.6 m95 -141.95 148.36 38.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.639 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.4 128.69 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.6 t80 -100.29 143.64 30.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.31 -175.03 38.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -122.85 126.05 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 39.8 ttp180 -71.14 96.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.76 -25.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 56' ' ' ARG . 10.4 ttt180 -43.59 -65.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.29 -25.64 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 111.42 10.55 19.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.91 128.01 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.526 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -108.35 113.49 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.97 -174.9 18.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 74.0 m95 -97.64 122.4 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.8 p90 -124.23 133.53 24.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.98 153.72 42.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' CB ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.47 -34.7 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -21.59 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 59.4 m-85 -108.88 20.29 18.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.02 168.58 24.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -139.38 110.85 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -52.97 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.6 -53.27 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.83 135.13 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.84 -148.68 8.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.6 42.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.3 t -116.81 112.01 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 p -54.28 -59.83 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.68 113.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.22 165.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.58 89.16 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -155.05 119.43 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -162.31 -58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.55 164.12 12.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -116.35 -64.32 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.04 74.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.1 101.59 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -61.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.3 169.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.23 168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 62.05 141.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.54 -96.97 1.79 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 17.4 m-20 -124.51 50.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -39.8 150.09 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -172.55 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -149.88 146.14 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 65' ' ' PHE . 22.1 m -136.36 140.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.54 123.81 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 20.7 mm -68.33 119.67 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -76.23 -30.88 58.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -147.26 151.74 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.48 140.89 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.2 t80 -120.51 81.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -56.03 111.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.88 137.25 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.76 -34.36 6.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -94.9 -179.31 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.03 -6.76 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -22.17 17.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -84.94 173.74 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 35' ' ' THR . 2.7 p -144.14 139.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 34' ' ' VAL . 80.6 m -75.6 132.21 40.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 4.9 mt -127.67 167.19 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -119.96 174.83 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -70.92 128.25 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.22 45.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.65 133.09 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.62 140.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.3 t -137.94 130.9 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 40.6 tp -86.52 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 45' ' ' LEU . 88.3 t -61.04 146.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.0 mt -128.14 -42.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -140.36 119.0 12.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -96.66 116.84 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -124.16 113.5 18.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -37.86 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.25 -41.16 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 48' ' ' GLU . 46.0 m95 -142.2 148.17 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.636 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.14 125.01 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.2 t80 -95.7 142.55 27.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -165.98 -175.43 36.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.5 tt0 -126.56 124.68 40.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLY . 14.9 ttp180 -64.67 116.54 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.82 -11.51 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -62.69 -65.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -113.99 -25.7 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.78 11.83 20.07 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 124.31 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.45 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.1 m -106.39 114.63 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.37 -175.0 19.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.3 m95 -96.75 116.86 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.1 p90 -119.26 133.4 23.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.07 151.87 39.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -73.16 -35.83 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -52.56 -22.23 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 58.7 m-85 -108.77 25.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -157.64 163.49 38.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -132.47 114.39 14.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.0 99.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.3 mt -54.54 -52.86 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.37 146.57 27.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.31 -151.89 6.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.38 42.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.4 157.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -58.43 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m 57.23 167.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.97 94.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 -91.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 m -149.88 -58.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -150.34 122.74 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.33 59.93 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.3 -67.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 65.56 161.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.16 -124.98 11.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.439 1.087 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mt 58.99 74.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t -59.21 130.01 44.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.9 p -151.98 103.31 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 149.19 49.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.27 149.4 37.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.68 72.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.6 mt -101.35 161.94 22.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.94 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -122.13 139.28 53.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 65' ' ' PHE . 21.7 m -128.25 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.25 120.19 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 41.7 mm -66.54 111.9 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -139.01 152.73 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 145.6 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.7 t80 -126.26 81.84 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -58.7 118.24 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 134.5 46.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.18 -35.28 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.22 -175.53 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -6.35 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.35 -11.25 22.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -90.86 173.9 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.32 135.07 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 90.8 m -73.93 134.1 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mt -126.98 173.88 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -126.05 166.4 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -65.18 127.04 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 69.63 48.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -109.36 149.65 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.81 138.96 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.2 t -139.84 127.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.2 tp -86.72 109.95 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 45' ' ' LEU . 84.2 t -60.18 139.43 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 16.9 mt -120.15 -40.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.77 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -92.1 117.34 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.8 tt0 -124.87 115.68 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 m-20 -39.37 102.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.11 -48.26 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' GLU . 67.3 m95 -131.26 139.62 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.622 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.3 119.37 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 44.3 t80 -90.39 144.19 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.9 -171.34 32.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.4 tm-20 -126.82 106.76 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 60' ' ' GLY . 44.9 ttp180 -59.97 91.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.442 ' CD1' ' OE2' ' A' ' 55' ' ' GLU . 1.4 mm? -38.94 -44.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HB3' ' HG2' ' A' ' 56' ' ' ARG . 42.3 ttt85 -35.77 -65.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -112.3 23.97 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 41.67 27.48 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -82.74 133.48 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.568 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -108.58 110.1 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -175.07 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.7 m95 -96.5 127.13 42.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.638 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.8 p90 -131.04 132.75 24.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 146.73 32.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.98 -35.71 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.11 -26.49 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 26.9 m-85 -107.2 39.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -174.75 156.72 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -127.21 114.62 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.39 103.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.99 -62.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.15 94.17 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.96 -144.17 4.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 115.39 4.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.3 m -138.86 139.38 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -119.23 94.03 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -137.39 166.42 23.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -98.43 167.51 10.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.35 -142.03 3.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -116.39 154.45 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.29 164.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.18 106.07 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -115.87 -63.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 64.03 84.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.42 100.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.31 105.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.88 82.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.8 137.11 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 166.45 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.14 -76.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -144.28 31.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -49.67 161.43 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.77 32.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -126.43 142.62 51.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 65' ' ' PHE . 27.5 m -127.62 141.34 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.13 116.07 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.405 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 45.9 mm -63.64 106.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.0 p -60.91 -49.81 75.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -128.05 154.72 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 145.54 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -122.59 86.56 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.28 97.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.34 133.53 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.25 -34.2 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 4.1 mt-30 -93.48 177.83 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -6.06 55.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.71 -22.01 17.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 38.8 mt-10 -83.17 171.62 13.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -142.92 139.6 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -72.02 136.26 46.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 1.8 mt -131.91 158.59 40.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -110.65 161.38 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -63.13 127.5 31.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 70.77 47.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.74 153.89 22.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.9 t -107.1 141.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.4 t -143.85 128.58 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' GLU . 10.9 tp -86.66 109.61 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 45' ' ' LEU . 89.7 t -59.54 139.91 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' N ' HG11 ' A' ' 44' ' ' VAL . 15.2 mt -119.17 -40.5 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.17 122.13 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -98.88 115.16 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.7 tt0 -123.22 115.67 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.6 t0 -39.39 102.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.37 -42.14 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 33' ' ' GLU . 36.6 m95 -141.58 147.55 37.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.638 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.74 118.63 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 49.5 t80 -91.43 142.64 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.15 -171.98 31.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' LEU . 2.0 tt0 -125.17 129.13 49.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.7 ttp85 -72.23 112.5 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.9 -14.42 34.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 3.6 ttt-85 -57.31 -66.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -117.52 -25.69 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 116.04 -0.21 21.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.2 125.46 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.427 HG21 ' CZ ' ' A' ' 53' ' ' TYR . 2.6 m -108.78 116.24 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -146.46 -174.95 19.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.504 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.2 m95 -98.02 120.73 38.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 p90 -123.02 132.52 24.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.92 153.51 42.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.78 -35.74 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -23.25 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 37.9 m-85 -110.01 29.2 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -160.71 165.41 30.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -133.3 109.2 9.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.46 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 4.3 m-85 -52.74 128.03 25.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.7 mt -110.24 101.8 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.66 59.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.88 160.19 32.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.74 26.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.21 165.79 22.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.8 p -119.95 111.18 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.57 116.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -140.97 146.03 36.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.4 76.21 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -170.19 159.43 7.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.29 -58.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.55 -160.9 17.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -147.9 109.2 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.54 -69.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.84 -139.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.37 119.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 p -57.92 -18.17 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.495 ' O ' ' C ' ' A' ' 14' ' ' LYS . 49.3 m -96.1 168.41 10.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 32.24 87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.11 -72.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -109.99 30.34 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.1 mt -73.71 164.22 62.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 163.68 34.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -147.3 150.42 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 ' CE1' ' A' ' 65' ' ' PHE . 10.2 m -135.54 137.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -92.96 118.6 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' ALA . 43.0 mm -65.5 108.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.5 p -64.93 -35.35 80.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -143.36 148.72 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.8 157.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 4.1 t80 -140.95 85.44 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -60.6 111.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 132.86 49.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -29.83 8.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.65 178.22 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -4.98 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.07 -15.03 14.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.514 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 92.7 mt-10 -81.35 161.31 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.15 139.97 46.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 55.4 m -74.04 134.27 42.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 5.7 mt -129.56 161.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.74 176.1 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -73.17 127.07 31.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 71.76 46.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.79 133.91 53.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.68 139.5 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.2 t -135.66 132.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.8 tp -86.98 109.95 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 45' ' ' LEU . 78.0 t -60.38 139.32 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.582 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.1 mt -120.91 -40.99 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.71 116.69 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -93.52 114.12 26.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.9 tt0 -122.02 115.67 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 m-20 -39.42 102.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.65 -45.75 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.514 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 68.1 m95 -133.94 140.34 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.629 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.89 115.49 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 52.1 t80 -87.66 142.54 27.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -163.93 -170.28 28.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -129.16 128.36 43.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLY . 11.6 ttp180 -68.98 116.34 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.1 -11.6 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -62.46 -65.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 61' ' ' GLU . 9.5 t70 -113.33 -25.53 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 2.75 28.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' OE1' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -56.78 127.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.582 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -107.03 115.63 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -174.74 19.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.4 m95 -95.57 137.06 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.6 p90 -141.32 131.96 13.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 149.05 36.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.35 -36.0 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.93 -24.06 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 51.0 m-85 -110.06 35.97 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -172.04 163.35 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -138.56 129.78 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -66.97 106.62 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.17 -68.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.25 101.89 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.53 -76.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.49 42.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.9 m -88.74 -58.53 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t 63.71 144.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.0 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -172.39 164.57 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.94 126.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -164.25 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 p -78.46 165.97 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.88 -137.83 3.36 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -87.82 88.41 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -44.5 -59.77 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.03 -136.77 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 49.62 74.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.01 79.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -165.86 88.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -143.78 153.3 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.83 -108.06 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -119.0 69.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.79 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.26 163.79 28.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 146.3 32.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -124.14 149.28 46.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 65' ' ' PHE . 12.4 m -137.19 140.24 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -98.39 117.22 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' ALA . 28.2 mm -61.78 118.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.5 p -76.43 -42.47 43.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -126.83 152.38 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.37 121.63 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -94.68 133.97 37.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -106.81 104.21 13.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.99 137.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -114.99 -36.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -98.16 176.42 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.75 -9.48 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -116.11 49.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 76.2 mt-10 -135.56 163.44 30.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG13 ' CA ' ' A' ' 63' ' ' GLY . 6.2 p -134.38 134.38 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.9 m -80.54 131.51 35.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.403 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 2.2 mt -122.56 164.76 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.86 126.86 30.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 73.01 49.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.2 141.28 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.9 t -95.92 137.68 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.4 t -139.34 129.54 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' GLU . 33.4 tp -86.86 109.67 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.8 135.14 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.581 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 7.1 mt -116.19 -42.35 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.02 111.49 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -87.34 110.38 20.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 51' ' ' TRP . 3.8 tp10 -117.26 141.59 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.99 102.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -35.01 3.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 66.2 m95 -142.43 140.83 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.643 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.78 112.35 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.2 t80 -83.17 141.35 32.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -162.59 -170.52 27.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -128.39 120.74 27.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 60' ' ' GLY . 24.6 ttp180 -64.03 115.74 5.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.34 -25.65 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -43.2 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -26.44 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 114.32 21.28 5.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.61 124.82 25.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.581 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -106.4 113.32 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.437 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -146.58 -174.85 19.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.0 m95 -96.49 124.29 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.62 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.6 p90 -129.55 132.56 24.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.0 151.31 39.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' CB ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.68 -35.31 70.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -27.22 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 24.4 m-85 -102.25 22.46 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -154.7 170.05 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -137.62 111.76 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -52.6 101.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.66 -61.12 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.7 p -155.92 140.15 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.75 139.92 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.17 -62.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.55 80.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.56 166.67 10.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.31 162.47 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.63 -80.2 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.98 171.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.025 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m 59.84 160.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.19 -67.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -75.88 90.92 2.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -62.23 -52.95 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.99 107.94 3.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -132.13 150.01 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -127.24 95.61 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -170.2 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.18 146.06 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.05 -97.3 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -90.01 45.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.3 mt -55.14 162.04 2.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.35 21.63 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -121.98 135.58 54.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.257 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 65' ' ' PHE . 26.3 m -120.28 140.81 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -96.7 120.3 36.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' ALA . 24.0 mm -67.23 130.39 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -87.99 -25.71 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.42 144.65 24.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.08 138.16 16.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.4 t80 -117.74 84.83 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -56.57 115.89 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 133.98 51.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -34.93 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.63 -173.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.17 -9.23 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -99.1 -14.42 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -84.39 159.28 20.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 61' ' ' GLU . 2.5 p -133.06 135.91 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -72.82 132.24 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 3.8 mt -126.01 170.54 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -125.08 171.11 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -66.2 128.8 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 67.89 49.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -113.21 131.97 55.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 ' CG1' HD12 ' A' ' 57' ' ' LEU . 85.0 t -92.54 139.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.86 134.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' GLU . 7.1 tp -88.25 109.72 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.1 t -60.24 139.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.552 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.82 -40.78 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.12 122.38 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -99.58 112.19 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.6 tp10 -119.96 115.5 23.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -38.11 102.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.69 -40.84 1.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.404 ' O ' ' O ' ' A' ' 48' ' ' GLU . 54.7 m95 -141.44 149.26 40.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.636 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.78 113.75 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 37.5 t80 -85.37 143.76 28.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.48 -174.54 36.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 0.1 OUTLIER -129.24 122.3 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' GLY . 17.0 ttp180 -62.28 117.61 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' A' ' 41' ' ' VAL . 4.1 mt -68.09 -11.2 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -62.72 -64.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.03 -25.65 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.88 9.63 24.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.3 mt-10 -60.77 125.7 24.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.552 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -109.58 110.28 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.36 -175.2 19.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 84.8 m95 -93.71 127.83 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.8 p90 -131.66 132.08 23.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.0 Cg_endo -75.04 152.68 40.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.36 -35.8 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -21.12 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.8 m-85 -110.62 28.36 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.96 161.92 28.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -131.62 112.88 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.238 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -54.48 100.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.2 mt -58.97 -52.06 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.45 131.54 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.38 -135.1 3.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.66 34.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 t 62.45 93.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 m -55.45 125.55 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -100.62 168.34 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -59.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.84 120.39 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.7 98.28 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.82 -59.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.2 176.51 19.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -82.42 139.41 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.73 176.07 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.15 109.45 2.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 mt -101.38 101.89 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.25 -59.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.0 m -156.8 123.75 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 155.68 49.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.94 -124.6 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.35 34.41 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 44' ' ' VAL . 18.8 mt -41.75 161.31 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 59.56 150.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 65' ' ' PHE . 4.3 m -140.84 150.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.93 121.94 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 32.8 mm -66.21 129.07 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.9 p -89.42 -23.4 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -150.52 148.21 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . . . -56.34 134.15 53.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.56 85.07 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -59.27 105.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.31 133.68 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -107.85 -33.58 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt-30 -89.04 -176.74 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.72 -1.46 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.88 -20.68 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.78 -177.63 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -152.52 131.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 95.5 m -66.75 132.7 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' CD2' ' HD3' ' A' ' 56' ' ' ARG . 4.5 mt -128.24 171.84 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 25' ' ' ALA . 80.4 mm-40 -125.44 177.08 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -73.96 127.91 34.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.54 40.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.84 130.14 51.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 t -90.54 135.39 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.72 131.43 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 8.5 tp -86.48 109.24 18.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 94.3 t -61.03 139.12 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.7 mt -120.98 -40.99 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 118.38 11.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -95.65 115.77 27.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.0 tt0 -125.18 115.6 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 t0 -39.71 103.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.73 -43.09 1.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' GLU . 39.0 m95 -140.94 145.58 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.637 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.36 118.39 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 62' ' ' THR . 48.4 t80 -89.69 142.9 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.74 -174.32 35.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -124.12 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 60' ' ' GLY . 40.8 ttp180 -60.45 106.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.66 -24.24 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' A' ' 56' ' ' ARG . 21.2 ttt180 -43.93 -66.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -26.17 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 112.07 17.59 8.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 128.85 37.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.53 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -107.59 113.26 26.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.34 -175.0 18.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.2 m95 -96.83 118.86 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.9 p90 -122.36 132.65 24.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.05 152.15 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.86 -35.82 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -22.77 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 43.8 m-85 -109.81 31.69 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -165.75 159.39 16.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 11.1 mtp-105 -127.73 113.07 15.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -54.19 133.36 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 74' ' ' SER . 10.3 mt -107.48 99.51 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.3 t 84.03 62.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.33 1.98 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.514 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 m -127.19 117.24 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -149.99 124.0 9.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 59.82 105.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -73.81 104.71 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.42 -171.45 12.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p 58.98 112.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 0.72 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -64.5 159.98 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 128.89 1.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -100.71 -70.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.82 -58.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.92 79.1 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.3 mt -135.47 96.99 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.25 -59.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.61 130.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.08 178.31 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.22 -115.73 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.05 68.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD23 ' CD ' ' A' ' 18' ' ' PRO . 18.3 mt -88.75 161.82 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.07 151.14 38.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -129.8 147.5 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CZ ' ' A' ' 65' ' ' PHE . 12.5 m -131.54 144.8 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -101.36 116.34 32.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 9.2 mm -65.07 101.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 15.5 p -56.68 -47.06 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 22.3 pttt -134.92 143.6 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.9 154.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.3 t80 -135.7 80.87 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -54.03 106.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.42 133.22 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.73 -34.48 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 34.9 mt-30 -86.54 -178.5 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.86 -2.74 46.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -18.64 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -84.61 165.97 17.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 63' ' ' GLY . 2.1 p -139.98 132.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -67.03 129.95 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mt -123.36 159.35 29.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -109.84 162.44 14.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -63.66 126.75 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.53 50.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.06 138.29 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.81 139.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.5 t -137.99 138.69 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 19.3 tp -90.28 110.08 21.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.09 139.06 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.0 mt -120.03 -40.73 2.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.38 133.4 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.44 120.64 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -127.68 115.7 19.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -37.84 102.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.09 -42.64 1.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.426 ' O ' ' O ' ' A' ' 48' ' ' GLU . 44.4 m95 -142.22 159.44 42.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.649 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.15 139.77 52.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' A' ' 62' ' ' THR . 30.6 t80 -110.18 144.38 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.48 -175.28 36.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.4 tt0 -126.16 114.22 18.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' GLY . 10.9 ttp180 -56.84 116.22 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.32 -14.64 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -57.78 -65.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -25.38 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.47 -3.29 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.04 124.03 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.443 HG21 ' CZ ' ' A' ' 53' ' ' TYR . 2.3 m -104.92 113.19 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.41 -175.04 19.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -99.12 119.34 37.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.7 p90 -114.95 140.39 25.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.584 ' HG2' ' CD2' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.96 149.2 36.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' CB ' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -77.04 -36.11 56.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.86 -31.15 37.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 7.0 m-30 -108.59 33.52 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . . . -150.41 151.0 32.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 15.5 mtm180 -121.94 106.37 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -54.49 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.83 -59.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -138.6 118.29 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.57 -150.79 5.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.71 3.31 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m 61.97 145.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -138.65 151.61 47.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 78.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -40.69 -57.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.6 -147.63 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -115.29 120.63 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -71.57 162.41 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.29 -72.0 1.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.53 174.1 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -62.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 -94.12 1.05 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.11 168.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -72.21 151.66 42.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m 62.97 126.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.61 80.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.08 -74.38 0.36 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 35.9 m-20 -131.86 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -40.08 152.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.02 140.43 43.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG22 ' CE1' ' A' ' 65' ' ' PHE . 8.4 m -128.15 135.02 63.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -94.48 116.18 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 69' ' ' PHE . 35.8 mm -62.33 131.44 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 76.4 p -88.0 -46.87 8.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -121.37 151.14 40.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 125.26 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -102.6 131.98 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.78 109.33 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.81 120.77 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -95.58 -30.18 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 5.0 mt-30 -94.43 158.03 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.35 -6.33 47.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -28.36 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -76.41 172.17 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.534 ' CG2' ' HG2' ' A' ' 61' ' ' GLU . 2.1 p -140.15 128.73 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.444 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 96.3 m -76.39 127.37 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -120.39 177.76 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -133.79 161.06 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 23' ' ' THR . 1.5 tt0 -56.99 123.47 15.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 72.68 47.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.96 135.13 54.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.9 138.82 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -135.88 134.26 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 20.7 tp -86.01 110.66 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 45' ' ' LEU . 57.7 t -66.81 146.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.607 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 4.5 mt -125.15 -40.62 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.53 121.81 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -99.01 108.47 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -118.95 118.08 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.09 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.63 -50.7 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.426 ' CZ3' ' HD3' ' A' ' 66' ' ' PRO . 52.4 m95 -132.54 142.84 49.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.635 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.68 111.4 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 18.6 t80 -78.59 143.37 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -171.15 179.3 43.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 2.0 tm-20 -120.71 117.3 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' GLY . 28.0 ttp180 -67.26 108.62 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.33 -27.49 47.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 7.5 ttt180 -41.13 -66.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -112.23 -26.5 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 100.88 30.87 5.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HG2' ' CG2' ' A' ' 34' ' ' VAL . 4.9 tt0 -92.58 123.39 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.607 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.04 116.54 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.32 -174.89 19.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 82.5 m95 -97.94 116.13 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.621 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.0 p90 -118.75 132.71 23.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.9 146.92 33.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CB ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -66.55 -36.24 82.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -30.42 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 14.4 m-85 -104.56 37.35 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' GLU . . . -170.1 156.42 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mtp-105 -126.29 112.69 16.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -52.95 103.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.0 -57.7 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.82 127.19 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.96 120.44 0.77 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.97 24.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.0 p -164.05 93.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.931 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -78.66 133.28 37.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -142.13 129.51 21.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -165.1 171.11 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.49 96.92 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.17 127.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -174.99 150.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.61 100.45 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.89 119.19 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.56 152.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.2 -130.05 9.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.03 73.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.54 -60.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.52 92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.038 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.41 173.51 6.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.3 -99.67 0.17 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -119.31 29.53 7.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.219 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 mt -48.33 159.88 0.48 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.82 28.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -127.13 136.89 52.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 65' ' ' PHE . 22.7 m -123.55 140.34 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.21 119.06 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 39' ' ' ALA . 28.1 mm -65.65 118.36 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 p -74.51 -30.81 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 1.8 pttt -148.68 146.2 28.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.53 155.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 6.6 t80 -137.94 84.05 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -59.76 105.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.45 142.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -111.72 -33.37 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -109.99 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.18 -8.01 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.01 -12.98 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -85.36 150.91 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.474 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 1.6 p -122.91 146.77 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 86.1 m -81.36 129.74 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HA ' ' NH1' ' A' ' 56' ' ' ARG . 3.7 mt -124.73 165.26 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.0 177.04 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -72.16 127.57 32.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.03 45.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -110.54 129.85 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 57' ' ' LEU . 97.7 t -94.28 128.63 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.96 138.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLU . 8.0 tp -86.49 109.4 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 45' ' ' LEU . 96.0 t -61.04 140.62 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' N ' HG12 ' A' ' 44' ' ' VAL . 17.7 mt -120.78 -41.61 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.3 122.38 13.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -99.55 107.75 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 51' ' ' TRP . 1.3 tt0 -116.2 116.7 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -39.27 103.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.31 -43.6 1.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.417 ' O ' ' O ' ' A' ' 48' ' ' GLU . 56.1 m95 -140.14 145.84 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.641 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 113.89 22.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.8 t80 -85.88 143.82 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -161.82 -175.46 32.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.77 105.0 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' O ' ' HA2' ' A' ' 60' ' ' GLY . 2.5 ttp180 -38.1 145.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 41' ' ' VAL . 12.3 mt -97.19 -11.67 23.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -63.66 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -27.29 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 56' ' ' ARG . . . 120.83 -1.22 12.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -42.58 124.96 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -112.0 109.65 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -147.61 -174.99 20.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.9 m95 -95.74 129.47 42.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.63 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.7 p90 -130.96 131.65 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 153.39 41.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.33 -35.63 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.99 -21.52 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.0 m-85 -111.11 27.54 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -159.34 158.25 31.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -128.15 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -53.15 104.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.64 -57.04 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.01 128.72 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.43 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.62 3.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -132.9 153.04 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.84 -57.54 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -119.32 -58.57 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 0.728 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -169.11 -58.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.74 142.16 4.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.3 116.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.734 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 134.32 51.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.09 110.87 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -124.25 79.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 67.03 80.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.07 104.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.87 127.7 50.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m 63.72 89.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 43' ' ' LEU . 59.6 m -166.83 114.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' CB ' ' HG ' ' A' ' 17' ' ' LEU . 9.5 tttm -44.85 -54.72 6.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.37 -54.55 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.96 35.89 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 14' ' ' LYS . 17.2 mt -57.13 163.1 3.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 142.67 28.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -130.63 136.04 48.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 65' ' ' PHE . 12.1 m -121.22 136.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.62 117.32 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 39' ' ' ALA . 21.7 mm -64.57 130.27 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -87.67 -41.97 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.73 153.43 45.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.85 21.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -103.43 117.22 33.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -85.85 110.89 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.07 124.51 25.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -104.11 -30.27 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 mt-30 -84.01 174.97 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.82 -0.28 57.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.5 OUTLIER -111.53 -17.29 13.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.13 164.06 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.54 ' CG2' ' HG2' ' A' ' 61' ' ' GLU . 2.6 p -134.64 129.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.497 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 2.0 m -71.87 130.99 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -124.89 174.4 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -133.81 161.84 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -58.5 123.54 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 73.44 47.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.29 139.7 49.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.01 138.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.6 t -135.82 135.06 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' CD2' ' OG ' ' A' ' 13' ' ' SER . 29.6 tp -85.77 110.18 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 45' ' ' LEU . 72.6 t -65.13 139.55 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.627 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 5.8 mt -121.68 -41.33 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 111.91 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -89.08 112.28 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.7 tt0 -120.04 130.96 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.64 -39.53 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 48' ' ' GLU . 66.6 m95 -140.77 135.62 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.627 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.78 115.85 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -82.87 145.4 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -172.52 -174.58 39.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -125.84 123.26 38.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 60' ' ' GLY . 19.4 ttp180 -71.58 106.53 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -54.94 -19.31 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 1.8 ttt85 -51.48 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.71 -26.19 9.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 99.31 26.94 8.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HG2' ' CG2' ' A' ' 34' ' ' VAL . 2.1 tt0 -91.1 119.37 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.627 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -89.47 118.87 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.7 -174.64 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.496 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 81.1 m95 -97.35 129.89 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.627 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 1.4 p90 -135.96 132.06 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -74.99 150.54 38.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.36 -35.5 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -30.33 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 9.5 m-85 -101.56 26.28 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 67' ' ' GLU . . . -155.97 163.97 39.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -133.38 107.73 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.82 106.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.41 -54.02 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.69 127.76 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.7 -86.42 0.58 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.03 6.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.54 139.83 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -122.98 167.94 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.32 169.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -73.03 141.95 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.02 -173.65 19.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -102.14 170.3 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -58.67 3.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.72 124.33 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.51 142.67 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.66 165.95 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.12 91.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.63 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 0.768 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.3 102.19 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.43 105.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.045 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -160.22 161.91 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.22 -143.84 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -57.34 -40.48 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 16' ' ' ASP . 6.7 mt 56.0 165.33 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.77 11.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -121.48 135.8 55.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 65' ' ' PHE . 35.1 m -119.74 137.68 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.85 118.21 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 35.3 mm -62.85 125.45 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.6 p -83.19 -30.48 27.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -145.46 151.39 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.09 137.83 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 11.3 t80 -118.13 84.42 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -59.75 108.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.09 131.82 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.38 -33.61 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.6 mm-40 -96.55 -173.71 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.62 -5.76 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.52 -13.1 19.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -91.08 173.43 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -144.41 139.06 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.3 m -71.99 134.68 46.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -131.44 164.46 25.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -118.8 173.57 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -71.44 126.97 31.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 70.7 48.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -111.5 134.99 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 57' ' ' LEU . 87.1 t -94.32 137.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.8 t -137.09 135.02 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 24.2 tp -87.58 109.7 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.74 139.83 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.0 mt -118.67 -40.47 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 123.12 14.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -101.13 113.79 27.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.2 tp10 -120.65 116.19 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -38.94 102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.95 -48.68 0.96 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.415 ' O ' ' O ' ' A' ' 48' ' ' GLU . 41.4 m95 -134.94 148.44 50.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.628 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.75 130.01 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.7 t80 -103.51 143.46 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.84 -172.97 34.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' LEU . 1.4 tm-20 -127.97 108.28 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.496 ' HD2' ' CB ' ' A' ' 58' ' ' ARG . 34.3 ttp180 -55.37 117.4 3.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 41' ' ' VAL . 3.8 mt -66.15 -21.53 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -45.51 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.08 -14.74 10.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 97.98 24.86 11.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -76.34 131.04 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.406 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -110.66 110.64 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.438 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.67 -175.19 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 73.3 m95 -97.44 115.96 28.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.619 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 3.2 p90 -117.66 132.88 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.97 154.52 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -76.41 -35.03 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -20.3 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 46.3 m-85 -108.81 17.73 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -150.82 170.9 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 11.8 mtp-105 -138.56 112.21 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 2.4 m-85 -53.64 104.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.13 -55.17 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.28 106.74 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.27 -85.03 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.7 p -133.5 120.03 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -95.92 -58.8 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' A' ' 72' ' ' PHE . 24.8 m -129.27 140.75 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' ASP . 44.8 tt0 -95.06 117.65 30.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.708 HD13 ' HB2' ' A' ' 70' ' ' ALA . 24.2 mm -64.99 110.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 73.4 p -65.92 -38.42 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 3.9 pttp -139.28 150.25 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -49.67 149.14 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.2 t80 -129.95 82.3 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.76 119.08 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.65 131.55 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.81 -34.99 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 7.6 mt-30 -86.6 -174.75 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.99 -6.15 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.14 -26.68 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -72.81 144.01 47.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.54 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 3.5 p -115.81 144.2 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 88.7 m -80.37 129.47 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' HD3' ' A' ' 56' ' ' ARG . 1.9 mt -124.84 159.83 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -111.63 177.25 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 12.7 tt0 -75.58 126.23 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.08 48.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 5.9 m-20 -104.79 177.68 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 57' ' ' LEU . 35.1 t -131.03 133.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.634 HG21 HD22 ' A' ' 36' ' ' LEU . 64.0 t -137.63 130.33 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.8 tp -86.76 109.61 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' A' ' 47' ' ' GLN . 87.2 t -58.58 139.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 14.0 mt -121.98 -41.22 2.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.34 118.59 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' HG3' HG11 ' A' ' 44' ' ' VAL . 10.5 mt-30 -95.35 113.15 24.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.0 tt0 -120.23 115.3 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLU . 4.9 m-20 -38.67 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.57 -44.78 1.22 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 58.2 m95 -135.15 143.74 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.897 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.01 116.15 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -87.66 142.67 27.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.36 -172.57 31.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.823 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.3 OUTLIER -130.0 118.16 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.748 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.3 ttp180 -60.73 117.14 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -65.68 -18.64 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 13.3 ttt-85 -52.3 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.03 -26.02 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 8.86 23.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -61.24 127.85 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.823 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -107.93 113.33 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.447 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.54 -174.58 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -95.57 132.45 40.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.5 p90 -136.46 130.78 18.18 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.06 153.52 41.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.81 -35.55 64.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -22.62 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.9 m-85 -107.13 24.3 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.708 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -158.23 168.95 25.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -136.77 111.37 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.755 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.7 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' A' ' 65' ' ' PHE . 18.3 m -132.75 141.62 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -97.74 118.23 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.714 HD13 ' HB2' ' A' ' 70' ' ' ALA . 40.2 mm -65.4 112.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.4 p -69.72 -34.87 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 22' ' ' ILE . 11.5 pttt -142.22 151.14 41.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.21 147.84 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.1 t80 -127.99 80.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -56.48 114.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -73.09 137.16 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.5 -34.54 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.7 mt-30 -94.22 178.24 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.41 -7.3 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.63 -19.73 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 25.4 mt-10 -85.29 172.09 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.75 138.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.0 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD23 ' HD3' ' A' ' 56' ' ' ARG . 2.5 mt -130.48 166.65 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -119.27 166.4 13.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 23.4 tt0 -65.63 127.13 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.62 46.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.06 148.84 30.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.582 HG12 HD23 ' A' ' 57' ' ' LEU . 63.9 t -103.91 140.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.6 t -139.64 129.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HB2' HD21 ' A' ' 57' ' ' LEU . 29.8 tp -86.8 109.82 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.57 HG11 ' HG3' ' A' ' 47' ' ' GLN . 82.7 t -60.43 139.83 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.0 mt -120.0 -40.54 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.3 120.54 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' A' ' 44' ' ' VAL . 12.0 mt-30 -97.89 113.3 25.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tp10 -120.93 115.3 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -38.86 103.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.81 -41.38 1.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.576 ' C ' HD22 ' A' ' 52' ' ' LEU . 51.9 m95 -141.61 147.78 38.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 119.63 35.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 39.7 t80 -91.73 143.44 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.16 -173.5 35.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.3 tm-20 -127.41 129.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.683 ' HD3' HD23 ' A' ' 36' ' ' LEU . 9.6 ttp180 -69.3 117.27 10.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 41' ' ' VAL . 3.0 mm? -66.58 -11.57 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -62.61 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.43 -25.63 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.09 8.09 26.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.31 126.84 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -107.97 113.37 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -176.05 19.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 80.2 m95 -94.84 129.54 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.9 p90 -133.06 132.26 22.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.02 152.88 41.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.762 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.73 -35.53 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -24.86 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 44.2 m-85 -107.49 32.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -167.56 163.77 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -134.0 113.46 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.688 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.564 ' HG2' HD12 ' A' ' 43' ' ' LEU . 22.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.759 HG21 ' CE1' ' A' ' 65' ' ' PHE . 15.7 m -131.57 142.31 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.67 120.64 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 9.9 mm -63.52 127.46 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.9 p -87.86 -21.17 25.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -152.29 145.92 24.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -55.17 129.77 39.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB3' HD12 ' A' ' 36' ' ' LEU . 10.0 t80 -111.42 90.7 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -63.78 98.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -43.12 134.63 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -34.61 6.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mt-30 -93.75 -174.66 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.71 -8.78 39.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -22.08 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -74.28 174.79 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 2.5 p -148.14 138.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.6 m -68.52 133.39 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 56' ' ' ARG . 3.7 mt -130.95 167.49 18.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -122.62 176.66 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 37.8 tt0 -73.29 125.29 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.81 46.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.75 130.04 55.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.8 139.28 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.93 131.43 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.575 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.6 tp -86.73 109.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.423 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 89.0 t -60.34 139.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.36 -40.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.58 122.98 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -100.52 113.34 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -120.67 114.81 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 t70 -38.82 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.55 -40.73 1.7 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 53.0 m95 -142.15 147.71 37.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.91 122.52 43.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 49.7 t80 -95.12 143.68 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.54 -171.69 32.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.724 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.0 OUTLIER -127.27 130.06 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.8 ttp180 -70.89 114.5 9.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -65.58 -11.69 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -61.53 -65.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -112.63 -25.54 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.06 5.15 29.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 129.5 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.724 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.3 m -108.15 114.8 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.64 -174.58 18.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.0 m95 -95.93 138.17 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.3 p90 -141.86 132.13 12.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 154.25 42.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.74 -34.95 62.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.57 -22.76 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 41.3 m-85 -108.64 18.81 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.93 165.77 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -136.49 110.88 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.604 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.3 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.798 HG21 ' CE1' ' A' ' 65' ' ' PHE . 15.5 m -137.41 143.18 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -102.22 119.91 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.569 HG13 HD13 ' A' ' 36' ' ' LEU . 14.9 mm -64.64 123.93 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -80.73 -26.1 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.1 pttt -151.09 148.23 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.95 138.25 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 5.6 t80 -122.34 86.92 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.73 114.1 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -59.73 131.95 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.79 -35.29 7.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mm-40 -93.05 -177.44 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.06 -7.25 49.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -21.51 14.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -69.76 -176.45 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.7 p -157.98 131.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 92.4 m -67.57 133.42 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.7 mt -128.91 171.27 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -125.13 177.03 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 43.0 tt0 -72.78 125.69 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.65 48.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.39 131.28 55.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.03 141.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 56' ' ' ARG . 41.9 t -138.81 129.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.565 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.9 tp -87.59 109.48 19.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 47' ' ' GLN . 83.2 t -60.87 137.53 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.4 mt -119.41 -41.14 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.29 119.06 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG3' HG11 ' A' ' 44' ' ' VAL . 9.9 mt-30 -95.84 113.29 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 5.8 tt0 -120.04 113.99 21.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.4 m-20 -38.35 102.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.97 -39.32 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.588 ' C ' HD22 ' A' ' 52' ' ' LEU . 55.9 m95 -140.66 145.45 36.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.43 115.83 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -88.37 143.92 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.35 -171.15 33.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.716 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.6 tt0 -127.17 119.59 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.611 ' HD3' HD23 ' A' ' 36' ' ' LEU . 42.0 ttp180 -66.5 101.6 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.63 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.5 mm? -52.21 -21.66 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -47.26 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.2 -25.54 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.49 11.01 22.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -68.71 125.94 28.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.2 m -104.7 113.1 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.14 -174.96 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -95.28 132.32 40.41 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.1 p90 -136.12 132.04 19.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.98 153.16 41.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.66 -35.02 65.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -22.4 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 45.3 m-85 -109.12 20.36 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.3 168.35 25.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.37 109.96 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.639 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG2' HD12 ' A' ' 43' ' ' LEU . 68.5 mt-30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 65' ' ' PHE . 16.9 m -131.9 139.45 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.42 118.5 33.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.741 HD13 ' HB2' ' A' ' 70' ' ' ALA . 41.8 mm -64.25 108.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -64.82 -37.6 88.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -140.06 150.92 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.28 158.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 6.3 t80 -143.29 80.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -63.53 102.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -57.16 141.11 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.2 -33.47 7.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.2 mm-40 -93.58 -173.76 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.84 -6.07 33.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.27 -20.75 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.622 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 10.0 mt-10 -86.52 175.0 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' OE1' ' A' ' 61' ' ' GLU . 3.2 p -144.76 144.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.1 mt -133.46 158.84 42.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -113.72 165.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 17.7 tt0 -63.52 127.64 32.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.45 49.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.82 139.66 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 57' ' ' LEU . 56.2 t -93.81 144.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -143.54 128.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' HD21 ' A' ' 57' ' ' LEU . 14.5 tp -86.76 109.85 19.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 97.6 t -61.41 139.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.4 mt -118.9 -40.07 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 117.99 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.539 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.3 117.35 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.9 tp10 -124.47 114.92 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' GLU . 12.6 m-20 -38.89 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.74 -44.99 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' C ' HD22 ' A' ' 52' ' ' LEU . 68.8 m95 -134.8 139.02 44.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.88 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.74 118.74 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -88.64 144.21 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.98 -173.69 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.45 131.48 50.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HD3' HD23 ' A' ' 36' ' ' LEU . 10.9 ttp180 -71.8 116.09 11.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.8 mm? -66.39 -11.46 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -63.23 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.2 -25.71 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.8 4.31 28.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.672 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -57.94 125.9 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.651 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.8 m -107.65 115.14 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.53 -174.81 18.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -96.68 131.03 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.724 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.0 p90 -134.82 132.97 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.05 149.14 36.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.587 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.74 -36.09 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.8 -26.3 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 36.8 m-85 -108.89 42.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.741 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -179.66 161.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 9.5 ptm180 -133.91 133.83 41.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.461 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.2 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.902 HG12 ' HA ' ' A' ' 72' ' ' PHE . 27.5 m -136.56 140.98 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -94.66 119.61 33.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.659 HD13 ' HB2' ' A' ' 70' ' ' ALA . 18.6 mm -67.2 107.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 38.9 p -60.67 -52.79 63.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.558 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -121.82 153.96 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -59.99 133.18 55.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 35' ' ' THR . 9.2 t80 -106.86 142.7 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -112.41 116.03 29.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.82 131.36 45.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.59 -34.4 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -97.82 -173.41 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.41 -6.83 49.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -100.55 -20.12 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.482 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 49.9 mt-10 -78.08 160.66 27.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -137.93 136.61 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 87.8 m -76.7 133.2 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.581 HD13 ' CD1' ' A' ' 22' ' ' ILE . 2.8 mt -127.04 159.04 35.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.0 173.7 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.6 tm0? -71.24 130.53 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.36 48.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 150.47 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -105.08 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.88 129.7 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.6 tp -86.68 109.82 19.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.536 HG11 ' HG3' ' A' ' 47' ' ' GLN . 98.6 t -59.64 139.81 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 12.8 mt -120.88 -40.73 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.35 119.02 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.536 ' HG3' HG11 ' A' ' 44' ' ' VAL . 13.0 mt-30 -97.01 113.64 25.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.7 tt0 -122.28 116.2 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.6 t0 -39.43 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.38 -41.62 1.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' C ' HD22 ' A' ' 52' ' ' LEU . 36.8 m95 -142.09 148.53 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.899 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.89 116.99 28.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -89.25 143.84 26.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.69 -173.57 37.3 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.6 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -124.48 129.78 51.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' GLY . 31.1 ttp180 -75.52 96.94 3.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.67 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.8 mm? -45.7 -26.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ttt-85 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -115.57 -25.69 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.72 4.87 22.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -59.73 129.26 41.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.543 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 2.0 m -113.74 114.42 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.68 18.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 75.5 m95 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.3 p90 -121.92 131.8 24.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.1 Cg_endo -74.97 154.53 42.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.13 -35.14 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -21.75 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 32.2 m-85 -108.13 21.72 16.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.659 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -155.77 170.77 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 111.51 7.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.902 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.0 m-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.647 HG21 ' CE1' ' A' ' 65' ' ' PHE . 2.6 m -134.93 146.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -108.52 115.33 29.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG13 HD13 ' A' ' 36' ' ' LEU . 6.6 mm -55.58 133.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.2 p -93.61 -40.28 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.1 150.49 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.96 133.06 38.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 5.0 t80 -116.33 82.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -60.95 113.7 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -68.63 138.81 55.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.59 -30.15 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 14.0 mt-30 -98.83 -175.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.3 -7.14 39.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.25 -26.08 16.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 9.0 mt-10 -79.08 178.91 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' A' ' 61' ' ' GLU . 3.3 p -150.73 134.73 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -69.16 133.77 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.8 mt -131.24 167.19 19.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -121.34 174.56 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.548 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.3 tm0? -73.07 124.18 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 75.36 47.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.57 125.02 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -83.33 135.89 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -135.72 132.23 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' HB2' HD21 ' A' ' 57' ' ' LEU . 7.1 tp -86.97 109.75 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 96.4 t -62.47 139.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.4 mt -117.83 -40.34 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.27 126.52 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.458 ' HG2' HD12 ' A' ' 52' ' ' LEU . 6.4 mt-30 -101.98 112.87 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tt0 -120.7 113.65 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -38.63 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.81 -40.73 1.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.588 ' C ' HD22 ' A' ' 52' ' ' LEU . 55.2 m95 -142.06 144.97 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.82 122.74 44.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 32.4 t80 -93.58 143.06 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.23 -175.15 37.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.61 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.1 tm-20 -124.86 132.29 53.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLY . 13.7 ttp180 -72.55 115.13 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 43' ' ' LEU . 3.0 mm? -65.54 -11.61 45.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.88 -65.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -114.23 -25.85 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.32 10.77 21.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -63.81 122.42 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.61 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.7 m -104.33 115.07 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.31 -174.8 18.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.4 m95 -97.4 123.35 41.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.647 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.8 p90 -126.45 132.68 24.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 154.58 42.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.96 -35.65 62.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -22.56 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 35.6 m-85 -110.81 27.37 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.562 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -161.1 166.4 28.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -137.49 133.9 35.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.5 ' HG3' HD12 ' A' ' 43' ' ' LEU . 32.1 mt-30 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.731 HG21 ' CE1' ' A' ' 65' ' ' PHE . 13.2 m -138.04 140.82 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -101.09 118.3 36.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 8.5 mm -61.35 130.94 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -91.94 -23.12 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -148.09 147.89 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . . . -58.41 130.9 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 10.7 t80 -113.4 85.54 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -63.68 98.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -54.38 141.57 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.36 -29.91 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 6.1 mm100 -96.35 -176.37 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.01 -6.66 41.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.66 -25.94 17.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 18.8 mt-10 -81.95 175.14 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.505 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.4 p -144.87 136.21 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.448 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 45.0 m -67.54 133.2 49.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD13 HG13 ' A' ' 22' ' ' ILE . 5.3 mt -130.53 168.43 17.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.549 ' OE1' ' HB2' ' A' ' 25' ' ' ALA . 63.9 mm-40 -126.87 176.58 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 53.6 tt0 -71.87 125.06 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.44 48.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.96 126.24 54.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 57' ' ' LEU . 40.5 t -83.59 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 56' ' ' ARG . 46.5 t -138.86 129.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 39.1 tp -87.69 109.8 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 88.9 t -61.66 139.5 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.9 mt -119.75 -40.42 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 122.4 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.473 ' HG3' HG11 ' A' ' 44' ' ' VAL . 7.2 mt-30 -99.26 117.77 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.1 tt0 -124.56 114.45 19.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -39.03 102.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.99 -41.73 1.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.598 ' C ' HD22 ' A' ' 52' ' ' LEU . 28.6 m95 -141.95 148.36 38.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.4 128.69 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.6 t80 -100.29 143.64 30.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.31 -175.03 38.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.757 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.9 OUTLIER -122.85 126.05 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 39.8 ttp180 -71.14 96.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.6 mm? -45.76 -25.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 56' ' ' ARG . 10.4 ttt180 -43.59 -65.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.29 -25.64 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 111.42 10.55 19.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.505 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -65.91 128.01 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.757 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -108.35 113.49 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.97 -174.9 18.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 74.0 m95 -97.64 122.4 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.8 p90 -124.23 133.53 24.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.98 153.72 42.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.518 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.47 -34.7 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -21.59 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 59.4 m-85 -108.88 20.29 18.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.02 168.58 24.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -139.38 110.85 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.655 ' HA ' HG12 ' A' ' 20' ' ' VAL . 6.6 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.833 HG12 ' HA ' ' A' ' 72' ' ' PHE . 22.1 m -136.36 140.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.54 123.81 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 70' ' ' ALA . 20.7 mm -68.33 119.67 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -76.23 -30.88 58.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -147.26 151.74 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.48 140.89 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.2 t80 -120.51 81.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -56.03 111.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -68.88 137.25 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.76 -34.36 6.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -94.9 -179.31 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.03 -6.76 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -22.17 17.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -84.94 173.74 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.7 p -144.14 139.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -75.6 132.21 40.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.9 mt -127.67 167.19 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -119.96 174.83 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 18.0 tt0 -70.92 128.25 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.22 45.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.65 133.09 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.62 140.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.3 t -137.94 130.9 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.53 ' HB2' HD21 ' A' ' 57' ' ' LEU . 40.6 tp -86.52 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG11 ' HG3' ' A' ' 47' ' ' GLN . 88.3 t -61.04 146.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.0 mt -128.14 -42.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -140.36 119.0 12.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' HG3' HG11 ' A' ' 44' ' ' VAL . 10.4 mt-30 -96.66 116.84 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -124.16 113.5 18.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -37.86 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.25 -41.16 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' C ' HD22 ' A' ' 52' ' ' LEU . 46.0 m95 -142.2 148.17 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.14 125.01 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.2 t80 -95.7 142.55 27.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -165.98 -175.43 36.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.5 tt0 -126.56 124.68 40.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.584 ' HD3' HD23 ' A' ' 36' ' ' LEU . 14.9 ttp180 -64.67 116.54 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.8 mm? -65.82 -11.51 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -62.69 -65.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -113.99 -25.7 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.78 11.83 20.07 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.462 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -64.11 124.31 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.1 m -106.39 114.63 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.37 -175.0 19.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.3 m95 -96.75 116.86 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.743 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.1 p90 -119.26 133.4 23.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.07 151.87 39.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -73.16 -35.83 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -52.56 -22.23 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 58.7 m-85 -108.77 25.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.612 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -157.64 163.49 38.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -132.47 114.39 14.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.833 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.6 m-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' A' ' 43' ' ' LEU . 35.8 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 72' ' ' PHE . 21.7 m -128.25 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.25 120.19 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' ' 70' ' ' ALA . 41.7 mm -66.54 111.9 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -139.01 152.73 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 145.6 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 5.7 t80 -126.26 81.84 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -58.7 118.24 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 134.5 46.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.18 -35.28 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.22 -175.53 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -6.35 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.35 -11.25 22.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -90.86 173.9 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.8 p -145.32 135.07 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 90.8 m -73.93 134.1 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.8 mt -126.98 173.88 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -126.05 166.4 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 10.6 tt0 -65.18 127.04 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 69.63 48.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -109.36 149.65 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 57' ' ' LEU . 48.3 t -102.81 138.96 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 56' ' ' ARG . 43.2 t -139.84 127.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.2 tp -86.72 109.95 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 47' ' ' GLN . 84.2 t -60.18 139.43 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 16.9 mt -120.15 -40.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.77 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.549 ' HG3' HG11 ' A' ' 44' ' ' VAL . 8.7 mt-30 -92.1 117.34 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.8 tt0 -124.87 115.68 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 m-20 -39.37 102.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.11 -48.26 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.556 ' C ' HD22 ' A' ' 52' ' ' LEU . 67.3 m95 -131.26 139.62 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.3 119.37 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 44.3 t80 -90.39 144.19 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.9 -171.34 32.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.743 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tm-20 -126.82 106.76 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.651 ' HA ' HG22 ' A' ' 42' ' ' VAL . 44.9 ttp180 -59.97 91.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.4 mm? -38.94 -44.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HB3' ' HG2' ' A' ' 56' ' ' ARG . 42.3 ttt85 -35.77 -65.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -112.3 23.97 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 41.67 27.48 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -82.74 133.48 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.743 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -108.58 110.1 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -175.07 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.7 m95 -96.5 127.13 42.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.741 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 p90 -131.04 132.75 24.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 146.73 32.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.577 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.98 -35.71 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.11 -26.49 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 26.9 m-85 -107.2 39.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -174.75 156.72 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -127.21 114.62 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.757 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 72' ' ' PHE . 27.5 m -127.62 141.34 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.13 116.07 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' A' ' 70' ' ' ALA . 45.9 mm -63.64 106.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.0 p -60.91 -49.81 75.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -128.05 154.72 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 145.54 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -122.59 86.56 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' HA ' HG23 ' A' ' 35' ' ' THR . 25.0 m-85 -61.28 97.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.34 133.53 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.25 -34.2 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 4.1 mt-30 -93.48 177.83 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -6.06 55.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.71 -22.01 17.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 38.8 mt-10 -83.17 171.62 13.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.8 p -142.92 139.6 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.45 HG23 ' HA ' ' A' ' 27' ' ' PHE . 2.9 m -72.02 136.26 46.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.695 HD23 ' HD3' ' A' ' 56' ' ' ARG . 1.8 mt -131.91 158.59 40.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -110.65 161.38 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 2.2 tt0 -63.13 127.5 31.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.77 47.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.74 153.89 22.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 57' ' ' LEU . 43.9 t -107.1 141.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.4 t -143.85 128.58 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' GLU . 10.9 tp -86.66 109.61 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' A' ' 47' ' ' GLN . 89.7 t -59.54 139.91 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' A' ' 55' ' ' GLU . 15.2 mt -119.17 -40.5 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.17 122.13 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' HG3' HG11 ' A' ' 44' ' ' VAL . 11.6 mt-30 -98.88 115.16 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.7 tt0 -123.22 115.67 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.6 t0 -39.39 102.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.37 -42.14 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 36.6 m95 -141.58 147.55 37.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.74 118.63 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CZ ' HG22 ' A' ' 62' ' ' THR . 49.5 t80 -91.43 142.64 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.15 -171.98 31.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 45' ' ' LEU . 2.0 tt0 -125.17 129.13 49.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.695 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.7 ttp85 -72.23 112.5 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 HG12 ' A' ' 41' ' ' VAL . 3.0 mm? -61.9 -14.42 34.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 3.6 ttt-85 -57.31 -66.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -117.52 -25.69 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 116.04 -0.21 21.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.588 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.2 125.46 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.572 HG22 ' CZ ' ' A' ' 53' ' ' TYR . 2.6 m -108.78 116.24 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -146.46 -174.95 19.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.2 m95 -98.02 120.73 38.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.749 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.2 p90 -123.02 132.52 24.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.92 153.51 42.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.78 -35.74 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -23.25 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.552 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 37.9 m-85 -110.01 29.2 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.617 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -160.71 165.41 30.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -133.3 109.2 9.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.966 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.3 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 43' ' ' LEU . 21.6 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 65' ' ' PHE . 10.2 m -135.54 137.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -92.96 118.6 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 70' ' ' ALA . 43.0 mm -65.5 108.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.617 HG22 ' HE ' ' A' ' 71' ' ' ARG . 31.5 p -64.93 -35.35 80.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -143.36 148.72 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.8 157.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 4.1 t80 -140.95 85.44 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -60.6 111.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 132.86 49.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -29.83 8.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.65 178.22 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -4.98 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.07 -15.03 14.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.514 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 92.7 mt-10 -81.35 161.31 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.15 139.97 46.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 55.4 m -74.04 134.27 42.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD23 ' HD3' ' A' ' 56' ' ' ARG . 5.7 mt -129.56 161.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.74 176.1 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.507 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.4 tm0? -73.17 127.07 31.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 71.76 46.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.79 133.91 53.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.68 139.5 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.2 t -135.66 132.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD12 ' HG3' ' A' ' 19' ' ' GLN . 6.8 tp -86.98 109.95 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG11 ' HG3' ' A' ' 47' ' ' GLN . 78.0 t -60.38 139.32 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.582 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.1 mt -120.91 -40.99 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.71 116.69 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.568 ' HG3' HG11 ' A' ' 44' ' ' VAL . 21.3 mt-30 -93.52 114.12 26.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.9 tt0 -122.02 115.67 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 m-20 -39.42 102.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.65 -45.75 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.56 ' C ' HD22 ' A' ' 52' ' ' LEU . 68.1 m95 -133.94 140.34 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.889 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.89 115.49 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 52.1 t80 -87.66 142.54 27.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -163.93 -170.28 28.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.662 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.16 128.36 43.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.545 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.6 ttp180 -68.98 116.34 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 43' ' ' LEU . 3.0 mm? -66.1 -11.6 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -62.46 -65.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 61' ' ' GLU . 9.5 t70 -113.33 -25.53 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 2.75 28.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' OE1' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -56.78 127.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.662 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.3 m -107.03 115.63 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -174.74 19.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.4 m95 -95.57 137.06 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.6 p90 -141.32 131.96 13.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 149.05 36.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.566 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.35 -36.0 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.93 -24.06 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 51.0 m-85 -110.06 35.97 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -172.04 163.35 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.617 ' HE ' HG22 ' A' ' 23' ' ' THR . 2.5 ptp180 -138.56 129.78 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 20' ' ' VAL . 20.5 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HG3' HD12 ' A' ' 43' ' ' LEU . 25.3 mt-30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.721 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.4 m -137.19 140.24 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -98.39 117.22 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 24' ' ' LYS . 28.2 mm -61.78 118.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.5 p -76.43 -42.47 43.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.83 152.38 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -65.37 121.63 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 35' ' ' THR . 14.6 t80 -94.68 133.97 37.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -106.81 104.21 13.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.99 137.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -114.99 -36.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -98.16 176.42 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.75 -9.48 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -116.11 49.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 76.2 mt-10 -135.56 163.44 30.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 61' ' ' GLU . 6.2 p -134.38 134.38 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 26' ' ' PHE . 78.9 m -80.54 131.51 35.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.666 HD23 ' HD3' ' A' ' 56' ' ' ARG . 2.2 mt -122.56 164.76 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.521 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.2 tm0? -69.86 126.86 30.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 73.01 49.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.2 141.28 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 HD23 ' A' ' 57' ' ' LEU . 50.9 t -95.92 137.68 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 56' ' ' ARG . 42.4 t -139.34 129.54 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 19' ' ' GLN . 33.4 tp -86.86 109.67 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.559 HG11 ' HG3' ' A' ' 47' ' ' GLN . 85.9 t -60.8 135.14 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.581 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 7.1 mt -116.19 -42.35 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.02 111.49 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.559 ' HG3' HG11 ' A' ' 44' ' ' VAL . 22.6 mt-30 -87.34 110.38 20.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 51' ' ' TRP . 3.8 tp10 -117.26 141.59 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.99 102.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -35.01 3.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 66.2 m95 -142.43 140.83 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.78 112.35 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.2 t80 -83.17 141.35 32.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -162.59 -170.52 27.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER -128.39 120.74 27.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.666 ' HD3' HD23 ' A' ' 36' ' ' LEU . 24.6 ttp180 -64.03 115.74 5.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 HG12 ' A' ' 41' ' ' VAL . 3.3 mm? -62.34 -25.65 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -43.2 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -26.44 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 114.32 21.28 5.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.522 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -70.61 124.82 25.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.288 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.581 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -106.4 113.32 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.58 -174.85 19.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.0 m95 -96.49 124.29 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.721 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.6 p90 -129.55 132.56 24.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.0 151.31 39.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.512 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.68 -35.31 70.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -27.22 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 24.4 m-85 -102.25 22.46 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -154.7 170.05 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -137.62 111.76 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.663 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.1 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.559 ' CG ' HD12 ' A' ' 43' ' ' LEU . 62.6 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 72' ' ' PHE . 26.3 m -120.28 140.81 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -96.7 120.3 36.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.656 HD13 ' HB2' ' A' ' 70' ' ' ALA . 24.0 mm -67.23 130.39 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -87.99 -25.71 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.42 144.65 24.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -50.08 138.16 16.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.4 t80 -117.74 84.83 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -56.57 115.89 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 133.98 51.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -34.93 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.63 -173.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.17 -9.23 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -99.1 -14.42 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -84.39 159.28 20.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.5 p -133.06 135.91 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -72.82 132.24 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD23 ' HD3' ' A' ' 56' ' ' ARG . 3.8 mt -126.01 170.54 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -125.08 171.11 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 42.1 tt0 -66.2 128.8 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 67.89 49.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -113.21 131.97 55.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.687 HG12 HD12 ' A' ' 57' ' ' LEU . 85.0 t -92.54 139.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.86 134.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HB2' HD21 ' A' ' 57' ' ' LEU . 7.1 tp -88.25 109.72 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.416 HG11 ' HG3' ' A' ' 47' ' ' GLN . 80.1 t -60.24 139.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.552 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.82 -40.78 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.12 122.38 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' HG3' HG11 ' A' ' 44' ' ' VAL . 1.6 mt-30 -99.58 112.19 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.6 tp10 -119.96 115.5 23.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -38.11 102.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.69 -40.84 1.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 54.7 m95 -141.44 149.26 40.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.78 113.75 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 37.5 t80 -85.37 143.76 28.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.48 -174.54 36.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.1 OUTLIER -129.24 122.3 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.62 ' HD3' HD23 ' A' ' 36' ' ' LEU . 17.0 ttp180 -62.28 117.61 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.687 HD12 HG12 ' A' ' 41' ' ' VAL . 4.1 mt -68.09 -11.2 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -62.72 -64.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.03 -25.65 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.88 9.63 24.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.648 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.3 mt-10 -60.77 125.7 24.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.926 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -109.58 110.28 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.36 -175.2 19.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 84.8 m95 -93.71 127.83 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.761 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 p90 -131.66 132.08 23.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.0 Cg_endo -75.04 152.68 40.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.486 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.36 -35.8 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -21.12 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.8 m-85 -110.62 28.36 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.656 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -161.96 161.92 28.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -131.62 112.88 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.238 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.762 ' HA ' HG12 ' A' ' 20' ' ' VAL . 5.4 m-85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 65' ' ' PHE . 4.3 m -140.84 150.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.93 121.94 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' A' ' 70' ' ' ALA . 32.8 mm -66.21 129.07 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.9 p -89.42 -23.4 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -150.52 148.21 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.34 134.15 53.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.56 85.07 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -59.27 105.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -62.31 133.68 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -107.85 -33.58 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt-30 -89.04 -176.74 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.72 -1.46 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.88 -20.68 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 35.1 mt-10 -80.78 -177.63 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.499 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.6 p -152.52 131.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 95.5 m -66.75 132.7 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.5 mt -128.24 171.84 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -125.44 177.08 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 38.2 tt0 -73.96 127.91 34.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.54 40.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.84 130.14 51.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 t -90.54 135.39 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 56' ' ' ARG . 43.2 t -131.72 131.43 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 8.5 tp -86.48 109.24 18.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 47' ' ' GLN . 94.3 t -61.03 139.12 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.7 mt -120.98 -40.99 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 118.38 11.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.524 ' HG3' HG11 ' A' ' 44' ' ' VAL . 12.4 mt-30 -95.65 115.77 27.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.0 tt0 -125.18 115.6 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 t0 -39.71 103.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.73 -43.09 1.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 39.0 m95 -140.94 145.58 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.36 118.39 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 48.4 t80 -89.69 142.9 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.74 -174.32 35.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.657 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.9 OUTLIER -124.12 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.698 ' HD3' HD23 ' A' ' 36' ' ' LEU . 40.8 ttp180 -60.45 106.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.544 HD13 ' OE2' ' A' ' 55' ' ' GLU . 2.9 mm? -54.66 -24.24 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' A' ' 56' ' ' ARG . 21.2 ttt180 -43.93 -66.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -26.17 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 112.07 17.59 8.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -71.09 128.85 37.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.657 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -107.59 113.26 26.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.34 -175.0 18.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.2 m95 -96.83 118.86 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.9 p90 -122.36 132.65 24.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.05 152.15 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.86 -35.82 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -22.77 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 43.8 m-85 -109.81 31.69 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.68 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -165.75 159.39 16.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 11.1 mtp-105 -127.73 113.07 15.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.565 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.5 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.756 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.5 m -131.54 144.8 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -101.36 116.34 32.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.598 HG13 HD13 ' A' ' 36' ' ' LEU . 9.2 mm -65.07 101.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 15.5 p -56.68 -47.06 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 22.3 pttt -134.92 143.6 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -43.9 154.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.3 t80 -135.7 80.87 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -54.03 106.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.42 133.22 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.73 -34.48 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 34.9 mt-30 -86.54 -178.5 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.86 -2.74 46.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -18.64 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -84.61 165.97 17.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.1 p -139.98 132.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -67.03 129.95 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 HG13 ' A' ' 22' ' ' ILE . 3.3 mt -123.36 159.35 29.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -109.84 162.44 14.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 7.1 tm0? -63.66 126.75 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.53 50.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.06 138.29 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.81 139.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 56' ' ' ARG . 25.5 t -137.99 138.69 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.728 ' HB2' HD21 ' A' ' 57' ' ' LEU . 19.3 tp -90.28 110.08 21.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 91.1 t -62.09 139.06 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.0 mt -120.03 -40.73 2.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.38 133.4 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.646 ' HG2' HD12 ' A' ' 52' ' ' LEU . 9.5 mt-30 -112.44 120.64 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -127.68 115.7 19.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -37.84 102.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.09 -42.64 1.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.718 ' C ' HD22 ' A' ' 52' ' ' LEU . 44.4 m95 -142.22 159.44 42.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.912 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.15 139.77 52.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -110.18 144.38 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.48 -175.28 36.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.593 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tt0 -126.16 114.22 18.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.637 ' HA ' HG22 ' A' ' 42' ' ' VAL . 10.9 ttp180 -56.84 116.22 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -67.32 -14.64 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -57.78 -65.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -25.38 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.47 -3.29 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.04 124.03 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.593 HG23 ' HB2' ' A' ' 55' ' ' GLU . 2.3 m -104.92 113.19 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.41 -175.04 19.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -99.12 119.34 37.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.756 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.7 p90 -114.95 140.39 25.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.96 149.2 36.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.642 ' HG2' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -77.04 -36.11 56.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.86 -31.15 37.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 7.0 m-30 -108.59 33.52 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -150.41 151.0 32.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 15.5 mtm180 -121.94 106.37 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.691 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.8 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 65' ' ' PHE . 8.4 m -128.15 135.02 63.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -94.48 116.18 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.743 HD13 ' HB2' ' A' ' 70' ' ' ALA . 35.8 mm -62.33 131.44 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 76.4 p -88.0 -46.87 8.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -121.37 151.14 40.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 125.26 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 35' ' ' THR . 14.2 t80 -102.6 131.98 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.78 109.33 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -78.81 120.77 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -95.58 -30.18 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 5.0 mt-30 -94.43 158.03 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.35 -6.33 47.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -28.36 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 53.6 mt-10 -76.41 172.17 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.62 HG23 ' HG2' ' A' ' 61' ' ' GLU . 2.1 p -140.15 128.73 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 26' ' ' PHE . 96.3 m -76.39 127.37 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.922 HD22 HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -120.39 177.76 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -133.79 161.06 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.5 tt0 -56.99 123.47 15.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.68 47.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.96 135.13 54.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 57' ' ' LEU . 47.5 t -94.9 138.82 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.922 HG21 HD22 ' A' ' 36' ' ' LEU . 55.7 t -135.88 134.26 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 20.7 tp -86.01 110.66 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 57.7 t -66.81 146.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.607 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 4.5 mt -125.15 -40.62 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.53 121.81 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.511 ' HG2' HD12 ' A' ' 52' ' ' LEU . 8.0 mt-30 -99.01 108.47 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -118.95 118.08 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.09 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.63 -50.7 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.586 ' C ' HD22 ' A' ' 52' ' ' LEU . 52.4 m95 -132.54 142.84 49.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.896 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.68 111.4 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 18.6 t80 -78.59 143.37 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -171.15 179.3 43.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.899 ' HB2' HG23 ' A' ' 62' ' ' THR . 2.0 tm-20 -120.71 117.3 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.864 ' HD3' HD23 ' A' ' 36' ' ' LEU . 28.0 ttp180 -67.26 108.62 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.7 HD13 ' OE2' ' A' ' 55' ' ' GLU . 2.9 mm? -55.33 -27.49 47.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 7.5 ttt180 -41.13 -66.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -112.23 -26.5 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 100.88 30.87 5.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HG2' HG23 ' A' ' 34' ' ' VAL . 4.9 tt0 -92.58 123.39 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.899 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -94.04 116.54 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.32 -174.89 19.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 82.5 m95 -97.94 116.13 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.0 p90 -118.75 132.71 23.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.9 146.92 33.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -66.55 -36.24 82.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -30.42 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 14.4 m-85 -104.56 37.35 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.743 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -170.1 156.42 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mtp-105 -126.29 112.69 16.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.562 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.4 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 72' ' ' PHE . 22.7 m -123.55 140.34 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.21 119.06 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 70' ' ' ALA . 28.1 mm -65.65 118.36 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 p -74.51 -30.81 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 1.8 pttt -148.68 146.2 28.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -45.53 155.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 6.6 t80 -137.94 84.05 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -59.76 105.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.45 142.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -111.72 -33.37 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -109.99 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.18 -8.01 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.01 -12.98 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -85.36 150.91 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.587 HG21 ' HB3' ' A' ' 61' ' ' GLU . 1.6 p -122.91 146.77 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 86.1 m -81.36 129.74 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 22' ' ' ILE . 3.7 mt -124.73 165.26 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.0 177.04 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 16.0 tt0 -72.16 127.57 32.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.03 45.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -110.54 129.85 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.782 HG12 HD12 ' A' ' 57' ' ' LEU . 97.7 t -94.28 128.63 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 56' ' ' ARG . 20.4 t -122.96 138.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HB2' HD21 ' A' ' 57' ' ' LEU . 8.0 tp -86.49 109.4 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' A' ' 47' ' ' GLN . 96.0 t -61.04 140.62 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 55' ' ' GLU . 17.7 mt -120.78 -41.61 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.3 122.38 13.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.502 ' HG3' HG11 ' A' ' 44' ' ' VAL . 11.9 mt-30 -99.55 107.75 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 51' ' ' TRP . 1.3 tt0 -116.2 116.7 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -39.27 103.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.31 -43.6 1.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 56.1 m95 -140.14 145.84 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 113.89 22.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.8 t80 -85.88 143.82 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -161.82 -175.46 32.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.918 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.77 105.0 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.593 ' HA ' HG22 ' A' ' 42' ' ' VAL . 2.5 ttp180 -38.1 145.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 41' ' ' VAL . 12.3 mt -97.19 -11.67 23.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -63.66 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -27.29 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 56' ' ' ARG . . . 120.83 -1.22 12.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -42.58 124.96 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.918 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -112.0 109.65 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 34' ' ' VAL . . . -147.61 -174.99 20.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.9 m95 -95.74 129.47 42.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.732 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.7 p90 -130.96 131.65 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 153.39 41.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.33 -35.63 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.99 -21.52 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.0 m-85 -111.11 27.54 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -159.34 158.25 31.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -128.15 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.786 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.5 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.1 m -121.22 136.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.62 117.32 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.702 ' CD1' HD13 ' A' ' 36' ' ' LEU . 21.7 mm -64.57 130.27 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -87.67 -41.97 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.73 153.43 45.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.85 21.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' A' ' 36' ' ' LEU . 22.5 t80 -103.43 117.22 33.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -85.85 110.89 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -72.07 124.51 25.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -104.11 -30.27 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 mt-30 -84.01 174.97 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.82 -0.28 57.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.5 OUTLIER -111.53 -17.29 13.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.488 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 43.1 mt-10 -73.13 164.06 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 61' ' ' GLU . 2.6 p -134.64 129.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.497 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 2.0 m -71.87 130.99 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.892 HD23 ' HD3' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -124.89 174.4 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -133.81 161.84 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.6 tt0 -58.5 123.54 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 73.44 47.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.29 139.7 49.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.01 138.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 36' ' ' LEU . 42.6 t -135.82 135.06 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.572 ' HB2' HD21 ' A' ' 57' ' ' LEU . 29.6 tp -85.77 110.18 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.639 HG11 ' HG3' ' A' ' 47' ' ' GLN . 72.6 t -65.13 139.55 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.627 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 5.8 mt -121.68 -41.33 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 111.91 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.639 ' HG3' HG11 ' A' ' 44' ' ' VAL . 9.6 mt-30 -89.08 112.28 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.7 tt0 -120.04 130.96 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.64 -39.53 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.574 ' C ' HD22 ' A' ' 52' ' ' LEU . 66.6 m95 -140.77 135.62 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.883 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.78 115.85 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -82.87 145.4 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -172.52 -174.58 39.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.804 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.8 OUTLIER -125.84 123.26 38.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.892 ' HD3' HD23 ' A' ' 36' ' ' LEU . 19.4 ttp180 -71.58 106.53 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.608 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.7 mm? -54.94 -19.31 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 1.8 ttt85 -51.48 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.71 -26.19 9.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 99.31 26.94 8.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 34' ' ' VAL . 2.1 tt0 -91.1 119.37 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.804 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -89.47 118.87 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.7 -174.64 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.496 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 81.1 m95 -97.35 129.89 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.4 p90 -135.96 132.06 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -74.99 150.54 38.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.579 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.36 -35.5 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -30.33 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 9.5 m-85 -101.56 26.28 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -155.97 163.97 39.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -133.38 107.73 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.645 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' ' 72' ' ' PHE . 35.1 m -119.74 137.68 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.85 118.21 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' A' ' 70' ' ' ALA . 35.3 mm -62.85 125.45 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.6 p -83.19 -30.48 27.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -145.46 151.39 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -58.09 137.83 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 11.3 t80 -118.13 84.42 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -59.75 108.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -60.09 131.82 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.38 -33.61 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.6 mm-40 -96.55 -173.71 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.62 -5.76 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.52 -13.1 19.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -91.08 173.43 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.8 p -144.41 139.06 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.3 m -71.99 134.68 46.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.2 mt -131.44 164.46 25.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -118.8 173.57 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 35.3 tt0 -71.44 126.97 31.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.7 48.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -111.5 134.99 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 HD12 ' A' ' 57' ' ' LEU . 87.1 t -94.32 137.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 56' ' ' ARG . 51.8 t -137.09 135.02 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 24.2 tp -87.58 109.7 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 91.7 t -61.74 139.83 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.0 mt -118.67 -40.47 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 123.12 14.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.499 ' HG3' HG11 ' A' ' 44' ' ' VAL . 13.9 mt-30 -101.13 113.79 27.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.2 tp10 -120.65 116.19 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -38.94 102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.95 -48.68 0.96 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.592 ' C ' HD22 ' A' ' 52' ' ' LEU . 41.4 m95 -134.94 148.44 50.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.897 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.75 130.01 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.7 t80 -103.51 143.46 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.84 -172.97 34.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.834 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tm-20 -127.97 108.28 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.67 ' HA ' HG22 ' A' ' 42' ' ' VAL . 34.3 ttp180 -55.37 117.4 3.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD12 HG12 ' A' ' 41' ' ' VAL . 3.8 mt -66.15 -21.53 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -45.51 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.08 -14.74 10.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 97.98 24.86 11.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.614 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -76.34 131.04 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -110.66 110.64 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.438 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.67 -175.19 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 73.3 m95 -97.44 115.96 28.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.718 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.2 p90 -117.66 132.88 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.97 154.52 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -76.41 -35.03 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -20.3 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 46.3 m-85 -108.81 17.73 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.567 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -150.82 170.9 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 11.8 mtp-105 -138.56 112.21 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.921 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.4 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.33 78.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t 63.06 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -175.9 47.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.5 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -159.65 85.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.2 -147.52 6.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -81.57 152.0 27.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -55.65 -49.7 72.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.91 -66.79 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 mt 61.24 83.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.64 152.75 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -102.78 120.98 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.95 162.03 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.74 -84.29 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -121.91 29.97 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' HB2' HD11 ' A' ' 43' ' ' LEU . 15.7 mt -51.32 158.26 1.41 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 141.71 27.19 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -127.55 141.02 51.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' A' ' 72' ' ' PHE . 24.8 m -129.27 140.75 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' ASP . 44.8 tt0 -95.06 117.65 30.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.708 HD13 ' HB2' ' A' ' 70' ' ' ALA . 24.2 mm -64.99 110.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 73.4 p -65.92 -38.42 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 3.9 pttp -139.28 150.25 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -49.67 149.14 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.2 t80 -129.95 82.3 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.76 119.08 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.65 131.55 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.81 -34.99 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 7.6 mt-30 -86.6 -174.75 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.99 -6.15 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.14 -26.68 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -72.81 144.01 47.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.54 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 3.5 p -115.81 144.2 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 88.7 m -80.37 129.47 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' HD3' ' A' ' 56' ' ' ARG . 1.9 mt -124.84 159.83 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -111.63 177.25 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 12.7 tt0 -75.58 126.23 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.08 48.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 5.9 m-20 -104.79 177.68 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 57' ' ' LEU . 35.1 t -131.03 133.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG21 HD22 ' A' ' 36' ' ' LEU . 64.0 t -137.63 130.33 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.8 tp -86.76 109.61 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' A' ' 47' ' ' GLN . 87.2 t -58.58 139.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 14.0 mt -121.98 -41.22 2.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.34 118.59 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' HG3' HG11 ' A' ' 44' ' ' VAL . 10.5 mt-30 -95.35 113.15 24.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.0 tt0 -120.23 115.3 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLU . 4.9 m-20 -38.67 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.57 -44.78 1.22 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 58.2 m95 -135.15 143.74 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.897 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.01 116.15 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -87.66 142.67 27.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.36 -172.57 31.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.823 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.3 OUTLIER -130.0 118.16 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.748 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.3 ttp180 -60.73 117.14 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -65.68 -18.64 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 13.3 ttt-85 -52.3 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.03 -26.02 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 8.86 23.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -61.24 127.85 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.823 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -107.93 113.33 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.447 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.54 -174.58 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -95.57 132.45 40.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.5 p90 -136.46 130.78 18.18 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.06 153.52 41.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.81 -35.55 64.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -22.62 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.9 m-85 -107.13 24.3 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.708 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -158.23 168.95 25.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -136.77 111.37 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.755 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.7 m-85 -52.98 106.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -62.96 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.13 122.99 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.06 -71.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 62.03 5.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 m -50.06 170.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.01 -58.38 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -86.61 152.21 22.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -162.2 158.56 24.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.91 141.73 3.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.71 171.32 3.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m 68.15 153.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.53 154.65 31.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -82.75 112.02 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -122.9 102.99 8.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.45 125.04 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.01 62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.53 167.33 8.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.057 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -103.84 146.24 28.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -129.33 106.19 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.59 -45.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -18.31 14.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 17' ' ' LEU . 27.3 mt -57.47 160.91 6.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.66 42.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -140.58 144.83 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' A' ' 65' ' ' PHE . 18.3 m -132.75 141.62 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -97.74 118.23 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.714 HD13 ' HB2' ' A' ' 70' ' ' ALA . 40.2 mm -65.4 112.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.4 p -69.72 -34.87 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 22' ' ' ILE . 11.5 pttt -142.22 151.14 41.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.21 147.84 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.1 t80 -127.99 80.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -56.48 114.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -73.09 137.16 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.5 -34.54 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.7 mt-30 -94.22 178.24 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.41 -7.3 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.63 -19.73 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 25.4 mt-10 -85.29 172.09 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.75 138.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.0 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD23 ' HD3' ' A' ' 56' ' ' ARG . 2.5 mt -130.48 166.65 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -119.27 166.4 13.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 23.4 tt0 -65.63 127.13 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.62 46.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.06 148.84 30.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.582 HG12 HD23 ' A' ' 57' ' ' LEU . 63.9 t -103.91 140.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.6 t -139.64 129.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HB2' HD21 ' A' ' 57' ' ' LEU . 29.8 tp -86.8 109.82 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.57 HG11 ' HG3' ' A' ' 47' ' ' GLN . 82.7 t -60.43 139.83 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.0 mt -120.0 -40.54 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.3 120.54 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' A' ' 44' ' ' VAL . 12.0 mt-30 -97.89 113.3 25.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tp10 -120.93 115.3 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -38.86 103.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.81 -41.38 1.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.576 ' C ' HD22 ' A' ' 52' ' ' LEU . 51.9 m95 -141.61 147.78 38.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 119.63 35.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 39.7 t80 -91.73 143.44 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.16 -173.5 35.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.3 tm-20 -127.41 129.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.683 ' HD3' HD23 ' A' ' 36' ' ' LEU . 9.6 ttp180 -69.3 117.27 10.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 41' ' ' VAL . 3.0 mm? -66.58 -11.57 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -62.61 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.43 -25.63 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.09 8.09 26.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.31 126.84 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -107.97 113.37 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -176.05 19.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 80.2 m95 -94.84 129.54 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.9 p90 -133.06 132.26 22.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.02 152.88 41.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.762 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.73 -35.53 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -24.86 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 44.2 m-85 -107.49 32.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -167.56 163.77 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -134.0 113.46 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.688 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.7 m-85 -53.19 105.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mt -59.34 -66.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 109.18 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.8 -154.13 11.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 111.65 3.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -167.54 103.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 157.78 27.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.42 127.72 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.69 161.64 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.59 93.59 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -167.9 90.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.67 131.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.84 -106.81 1.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -151.56 88.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -85.84 135.65 33.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.98 129.66 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.88 79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.71 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -53.22 157.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.12 152.52 11.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 40.68 73.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.26 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 44' ' ' VAL . 25.4 mt -112.15 160.74 28.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 157.86 42.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.564 ' HG2' HD12 ' A' ' 43' ' ' LEU . 22.4 mt-30 -137.46 140.82 41.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.759 HG21 ' CE1' ' A' ' 65' ' ' PHE . 15.7 m -131.57 142.31 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.67 120.64 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 9.9 mm -63.52 127.46 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.9 p -87.86 -21.17 25.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -152.29 145.92 24.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -55.17 129.77 39.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB3' HD12 ' A' ' 36' ' ' LEU . 10.0 t80 -111.42 90.7 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -63.78 98.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -43.12 134.63 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -34.61 6.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mt-30 -93.75 -174.66 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.71 -8.78 39.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -22.08 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -74.28 174.79 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 2.5 p -148.14 138.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.6 m -68.52 133.39 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 56' ' ' ARG . 3.7 mt -130.95 167.49 18.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -122.62 176.66 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 37.8 tt0 -73.29 125.29 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.81 46.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.75 130.04 55.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.8 139.28 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.93 131.43 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.575 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.6 tp -86.73 109.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' HD13 ' A' ' 17' ' ' LEU . 89.0 t -60.34 139.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.36 -40.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.58 122.98 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -100.52 113.34 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -120.67 114.81 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 t70 -38.82 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.55 -40.73 1.7 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 53.0 m95 -142.15 147.71 37.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.91 122.52 43.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 49.7 t80 -95.12 143.68 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.54 -171.69 32.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.724 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.0 OUTLIER -127.27 130.06 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.8 ttp180 -70.89 114.5 9.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -65.58 -11.69 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -61.53 -65.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -112.63 -25.54 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.06 5.15 29.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 129.5 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.724 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.3 m -108.15 114.8 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.64 -174.58 18.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.0 m95 -95.93 138.17 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.3 p90 -141.86 132.13 12.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 154.25 42.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.74 -34.95 62.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.57 -22.76 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 41.3 m-85 -108.64 18.81 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.93 165.77 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -136.49 110.88 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.604 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.3 m-85 -56.1 103.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.2 mt -56.27 -56.01 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.77 118.81 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.48 -85.96 0.06 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -123.82 118.85 28.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 p -113.59 -32.36 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.47 119.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.33 164.65 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.19 -151.43 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -176.87 114.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.74 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.43 -58.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.87 87.04 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.8 m95 65.18 115.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -103.69 155.47 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.08 86.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -58.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.799 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.18 172.51 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m 69.38 -66.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 146.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.62 -102.4 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -124.24 68.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 17' ' ' LEU . 25.0 mt -72.39 160.85 81.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 143.24 28.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -125.42 150.15 47.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.798 HG21 ' CE1' ' A' ' 65' ' ' PHE . 15.5 m -137.41 143.18 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -102.22 119.91 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.569 HG13 HD13 ' A' ' 36' ' ' LEU . 14.9 mm -64.64 123.93 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -80.73 -26.1 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.1 pttt -151.09 148.23 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.95 138.25 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 5.6 t80 -122.34 86.92 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.73 114.1 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -59.73 131.95 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.79 -35.29 7.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mm-40 -93.05 -177.44 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.06 -7.25 49.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -21.51 14.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -69.76 -176.45 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.7 p -157.98 131.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 92.4 m -67.57 133.42 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.7 mt -128.91 171.27 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -125.13 177.03 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 43.0 tt0 -72.78 125.69 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.65 48.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.39 131.28 55.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.03 141.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 56' ' ' ARG . 41.9 t -138.81 129.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.565 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.9 tp -87.59 109.48 19.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 47' ' ' GLN . 83.2 t -60.87 137.53 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.4 mt -119.41 -41.14 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.29 119.06 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG3' HG11 ' A' ' 44' ' ' VAL . 9.9 mt-30 -95.84 113.29 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 5.8 tt0 -120.04 113.99 21.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.4 m-20 -38.35 102.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.97 -39.32 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.588 ' C ' HD22 ' A' ' 52' ' ' LEU . 55.9 m95 -140.66 145.45 36.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.43 115.83 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -88.37 143.92 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.35 -171.15 33.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.716 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.6 tt0 -127.17 119.59 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.611 ' HD3' HD23 ' A' ' 36' ' ' LEU . 42.0 ttp180 -66.5 101.6 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.63 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.5 mm? -52.21 -21.66 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -47.26 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.2 -25.54 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.49 11.01 22.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -68.71 125.94 28.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.2 m -104.7 113.1 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.14 -174.96 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -95.28 132.32 40.41 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.1 p90 -136.12 132.04 19.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.98 153.16 41.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.66 -35.02 65.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -22.4 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 45.3 m-85 -109.12 20.36 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.3 168.35 25.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.37 109.96 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.639 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.2 m-85 -52.86 103.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.85 -54.94 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.05 132.39 20.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.66 -68.38 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.01 21.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -147.43 -60.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.9 p -87.12 132.05 33.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 p -169.92 149.0 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -153.04 -60.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 -137.47 4.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -160.42 150.32 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -105.3 165.79 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.13 155.5 4.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.19 93.45 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -70.34 103.49 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.88 -61.42 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.81 83.64 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.76 119.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -64.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? 66.35 177.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.88 153.18 7.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 40.45 72.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 17' ' ' LEU . 22.1 mt -110.76 161.02 26.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG2' HD12 ' A' ' 43' ' ' LEU . 68.5 mt-30 -119.09 143.31 47.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 65' ' ' PHE . 16.9 m -131.9 139.45 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.42 118.5 33.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.741 HD13 ' HB2' ' A' ' 70' ' ' ALA . 41.8 mm -64.25 108.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -64.82 -37.6 88.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -140.06 150.92 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.28 158.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 6.3 t80 -143.29 80.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -63.53 102.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -57.16 141.11 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.2 -33.47 7.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.2 mm-40 -93.58 -173.76 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.84 -6.07 33.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.27 -20.75 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.622 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 10.0 mt-10 -86.52 175.0 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' OE1' ' A' ' 61' ' ' GLU . 3.2 p -144.76 144.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.1 mt -133.46 158.84 42.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -113.72 165.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 17.7 tt0 -63.52 127.64 32.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.45 49.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.82 139.66 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 57' ' ' LEU . 56.2 t -93.81 144.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -143.54 128.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' HD21 ' A' ' 57' ' ' LEU . 14.5 tp -86.76 109.85 19.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 97.6 t -61.41 139.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.4 mt -118.9 -40.07 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 117.99 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.539 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.3 117.35 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.9 tp10 -124.47 114.92 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' GLU . 12.6 m-20 -38.89 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.74 -44.99 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' C ' HD22 ' A' ' 52' ' ' LEU . 68.8 m95 -134.8 139.02 44.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.88 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.74 118.74 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -88.64 144.21 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.98 -173.69 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.45 131.48 50.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HD3' HD23 ' A' ' 36' ' ' LEU . 10.9 ttp180 -71.8 116.09 11.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.8 mm? -66.39 -11.46 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -63.23 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.2 -25.71 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.8 4.31 28.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.672 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -57.94 125.9 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.651 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.8 m -107.65 115.14 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.53 -174.81 18.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -96.68 131.03 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.724 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.0 p90 -134.82 132.97 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.05 149.14 36.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.587 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.74 -36.09 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.8 -26.3 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 36.8 m-85 -108.89 42.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.741 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -179.66 161.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 9.5 ptm180 -133.91 133.83 41.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.461 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.2 m-85 -72.44 99.46 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.9 mt -55.21 -68.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.04 106.54 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.47 -156.72 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 p -132.03 154.47 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 m -130.14 133.25 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -161.55 157.7 25.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -162.14 147.09 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.13 128.24 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.61 140.53 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -162.51 147.7 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.63 -139.77 2.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -87.18 94.36 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.26 -57.3 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -67.98 1.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.0 101.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.57 81.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -61.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.72 146.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.71 -116.58 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.04 46.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 44' ' ' VAL . 14.3 mt -52.16 157.29 2.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.4 27.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -128.07 147.25 50.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.902 HG12 ' HA ' ' A' ' 72' ' ' PHE . 27.5 m -136.56 140.98 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -94.66 119.61 33.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.659 HD13 ' HB2' ' A' ' 70' ' ' ALA . 18.6 mm -67.2 107.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 38.9 p -60.67 -52.79 63.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.558 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -121.82 153.96 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -59.99 133.18 55.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 35' ' ' THR . 9.2 t80 -106.86 142.7 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -112.41 116.03 29.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.82 131.36 45.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.59 -34.4 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -97.82 -173.41 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.41 -6.83 49.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -100.55 -20.12 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 49.9 mt-10 -78.08 160.66 27.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -137.93 136.61 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 87.8 m -76.7 133.2 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.581 HD13 ' CD1' ' A' ' 22' ' ' ILE . 2.8 mt -127.04 159.04 35.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.0 173.7 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.6 tm0? -71.24 130.53 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.36 48.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 150.47 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -105.08 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.88 129.7 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.6 tp -86.68 109.82 19.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.536 HG11 ' HG3' ' A' ' 47' ' ' GLN . 98.6 t -59.64 139.81 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 12.8 mt -120.88 -40.73 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.35 119.02 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.536 ' HG3' HG11 ' A' ' 44' ' ' VAL . 13.0 mt-30 -97.01 113.64 25.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.7 tt0 -122.28 116.2 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.6 t0 -39.43 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.38 -41.62 1.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' C ' HD22 ' A' ' 52' ' ' LEU . 36.8 m95 -142.09 148.53 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.899 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.89 116.99 28.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -89.25 143.84 26.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.69 -173.57 37.3 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.6 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -124.48 129.78 51.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' GLY . 31.1 ttp180 -75.52 96.94 3.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.67 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.8 mm? -45.7 -26.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ttt-85 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -115.57 -25.69 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.72 4.87 22.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -59.73 129.26 41.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.543 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 2.0 m -113.74 114.42 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.68 18.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 75.5 m95 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.3 p90 -121.92 131.8 24.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.1 Cg_endo -74.97 154.53 42.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.13 -35.14 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -21.75 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 32.2 m-85 -108.13 21.72 16.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.659 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -155.77 170.77 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 111.51 7.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.902 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.0 m-85 -52.79 100.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.18 -63.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.7 p -129.87 128.96 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.19 -167.25 12.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.49 24.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.36 153.92 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.73 147.07 37.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.3 86.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.02 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.74 150.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.01 -120.66 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -164.36 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.755 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -125.19 -58.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.03 125.97 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.71 148.15 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.604 ' C ' HD23 ' A' ' 11' ' ' LEU . 6.7 tt0 -152.87 146.41 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.513 ' N ' HD23 ' A' ' 11' ' ' LEU . . . 78.27 55.71 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -136.85 64.58 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 0.736 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.85 156.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -76.83 125.16 28.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -175.85 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.01 -110.24 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.65 70.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LEU . 18.2 mt -70.64 161.52 76.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.02 32.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -145.48 143.53 30.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.647 HG21 ' CE1' ' A' ' 65' ' ' PHE . 2.6 m -134.93 146.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -108.52 115.33 29.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG13 HD13 ' A' ' 36' ' ' LEU . 6.6 mm -55.58 133.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.2 p -93.61 -40.28 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.1 150.49 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.96 133.06 38.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 5.0 t80 -116.33 82.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -60.95 113.7 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -68.63 138.81 55.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.59 -30.15 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 14.0 mt-30 -98.83 -175.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.3 -7.14 39.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.25 -26.08 16.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 9.0 mt-10 -79.08 178.91 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' A' ' 61' ' ' GLU . 3.3 p -150.73 134.73 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -69.16 133.77 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.8 mt -131.24 167.19 19.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -121.34 174.56 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.548 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.3 tm0? -73.07 124.18 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 75.36 47.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.57 125.02 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -83.33 135.89 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -135.72 132.23 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' HB2' HD21 ' A' ' 57' ' ' LEU . 7.1 tp -86.97 109.75 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 96.4 t -62.47 139.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.4 mt -117.83 -40.34 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.27 126.52 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.458 ' HG2' HD12 ' A' ' 52' ' ' LEU . 6.4 mt-30 -101.98 112.87 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tt0 -120.7 113.65 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -38.63 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.81 -40.73 1.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.588 ' C ' HD22 ' A' ' 52' ' ' LEU . 55.2 m95 -142.06 144.97 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.82 122.74 44.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 32.4 t80 -93.58 143.06 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.23 -175.15 37.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.61 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.1 tm-20 -124.86 132.29 53.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLY . 13.7 ttp180 -72.55 115.13 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 43' ' ' LEU . 3.0 mm? -65.54 -11.61 45.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.88 -65.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -114.23 -25.85 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.32 10.77 21.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -63.81 122.42 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.61 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.7 m -104.33 115.07 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.31 -174.8 18.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.4 m95 -97.4 123.35 41.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.647 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.8 p90 -126.45 132.68 24.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 154.58 42.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.96 -35.65 62.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -22.56 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 35.6 m-85 -110.81 27.37 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.562 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -161.1 166.4 28.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -137.49 133.9 35.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -75.14 98.83 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -50.11 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -150.0 102.81 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.64 -167.68 32.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 73.97 4.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.24 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.85 161.54 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.29 164.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 62.84 133.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.88 -74.42 0.93 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.48 151.92 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 0.8 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.48 128.04 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.76 78.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 61.39 46.23 7.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 62.11 77.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.67 87.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 tp -145.81 107.48 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.6 p -142.94 167.46 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -88.96 -58.49 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 77.13 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.06 171.13 17.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.57 75.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 44' ' ' VAL . 23.9 mt -111.09 160.88 27.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.11 42.9 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.5 ' HG3' HD12 ' A' ' 43' ' ' LEU . 32.1 mt-30 -136.81 147.41 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.731 HG21 ' CE1' ' A' ' 65' ' ' PHE . 13.2 m -138.04 140.82 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -101.09 118.3 36.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 8.5 mm -61.35 130.94 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -91.94 -23.12 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -148.09 147.89 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . . . -58.41 130.9 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 10.7 t80 -113.4 85.54 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -63.68 98.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -54.38 141.57 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.36 -29.91 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 6.1 mm100 -96.35 -176.37 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.01 -6.66 41.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.66 -25.94 17.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 18.8 mt-10 -81.95 175.14 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.505 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.4 p -144.87 136.21 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.448 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 45.0 m -67.54 133.2 49.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD13 HG13 ' A' ' 22' ' ' ILE . 5.3 mt -130.53 168.43 17.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.549 ' OE1' ' HB2' ' A' ' 25' ' ' ALA . 63.9 mm-40 -126.87 176.58 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 53.6 tt0 -71.87 125.06 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.44 48.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.96 126.24 54.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 57' ' ' LEU . 40.5 t -83.59 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 56' ' ' ARG . 46.5 t -138.86 129.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 39.1 tp -87.69 109.8 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 88.9 t -61.66 139.5 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.9 mt -119.75 -40.42 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 122.4 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.473 ' HG3' HG11 ' A' ' 44' ' ' VAL . 7.2 mt-30 -99.26 117.77 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.1 tt0 -124.56 114.45 19.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -39.03 102.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.99 -41.73 1.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.598 ' C ' HD22 ' A' ' 52' ' ' LEU . 28.6 m95 -141.95 148.36 38.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.4 128.69 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.6 t80 -100.29 143.64 30.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.31 -175.03 38.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.757 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.9 OUTLIER -122.85 126.05 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 39.8 ttp180 -71.14 96.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.6 mm? -45.76 -25.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 56' ' ' ARG . 10.4 ttt180 -43.59 -65.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.29 -25.64 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 111.42 10.55 19.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.505 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -65.91 128.01 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.757 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -108.35 113.49 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.97 -174.9 18.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 74.0 m95 -97.64 122.4 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.8 p90 -124.23 133.53 24.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.98 153.72 42.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.518 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.47 -34.7 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -21.59 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 59.4 m-85 -108.88 20.29 18.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.02 168.58 24.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -139.38 110.85 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.655 ' HA ' HG12 ' A' ' 20' ' ' VAL . 6.6 m-85 -52.97 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.6 -53.27 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.83 135.13 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.84 -148.68 8.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.6 42.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.3 t -116.81 112.01 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 p -54.28 -59.83 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.68 113.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.22 165.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.58 89.16 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -155.05 119.43 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -162.31 -58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.55 164.12 12.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -116.35 -64.32 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.04 74.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.1 101.59 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -61.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.3 169.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.23 168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 62.05 141.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.54 -96.97 1.79 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 17.4 m-20 -124.51 50.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -39.8 150.09 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -172.55 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -149.88 146.14 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.833 HG12 ' HA ' ' A' ' 72' ' ' PHE . 22.1 m -136.36 140.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.54 123.81 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 70' ' ' ALA . 20.7 mm -68.33 119.67 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -76.23 -30.88 58.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -147.26 151.74 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.48 140.89 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.2 t80 -120.51 81.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -56.03 111.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -68.88 137.25 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.76 -34.36 6.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -94.9 -179.31 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.03 -6.76 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -22.17 17.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -84.94 173.74 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.7 p -144.14 139.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -75.6 132.21 40.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.9 mt -127.67 167.19 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -119.96 174.83 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 18.0 tt0 -70.92 128.25 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.22 45.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.65 133.09 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.62 140.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.3 t -137.94 130.9 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.53 ' HB2' HD21 ' A' ' 57' ' ' LEU . 40.6 tp -86.52 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG11 ' HG3' ' A' ' 47' ' ' GLN . 88.3 t -61.04 146.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.0 mt -128.14 -42.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -140.36 119.0 12.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' HG3' HG11 ' A' ' 44' ' ' VAL . 10.4 mt-30 -96.66 116.84 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -124.16 113.5 18.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -37.86 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.25 -41.16 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.595 ' C ' HD22 ' A' ' 52' ' ' LEU . 46.0 m95 -142.2 148.17 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.14 125.01 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.2 t80 -95.7 142.55 27.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -165.98 -175.43 36.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.5 tt0 -126.56 124.68 40.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.584 ' HD3' HD23 ' A' ' 36' ' ' LEU . 14.9 ttp180 -64.67 116.54 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.8 mm? -65.82 -11.51 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -62.69 -65.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -113.99 -25.7 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.78 11.83 20.07 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -64.11 124.31 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.1 m -106.39 114.63 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.37 -175.0 19.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.3 m95 -96.75 116.86 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.743 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.1 p90 -119.26 133.4 23.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.07 151.87 39.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -73.16 -35.83 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -52.56 -22.23 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 58.7 m-85 -108.77 25.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.612 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -157.64 163.49 38.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -132.47 114.39 14.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.833 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.6 m-85 -58.0 99.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.3 mt -54.54 -52.86 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.37 146.57 27.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.31 -151.89 6.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.38 42.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.4 157.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -58.43 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m 57.23 167.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.97 94.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 -91.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 m -149.88 -58.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -150.34 122.74 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.33 59.93 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.3 -67.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 65.56 161.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.16 -124.98 11.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.439 1.087 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mt 58.99 74.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t -59.21 130.01 44.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.9 p -151.98 103.31 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.832 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -64.83 149.19 49.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.27 149.4 37.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.68 72.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 14' ' ' LYS . 17.6 mt -101.35 161.94 22.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.94 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' A' ' 43' ' ' LEU . 35.8 mt-30 -122.13 139.28 53.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 72' ' ' PHE . 21.7 m -128.25 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.25 120.19 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' ' 70' ' ' ALA . 41.7 mm -66.54 111.9 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -139.01 152.73 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 145.6 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 5.7 t80 -126.26 81.84 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -58.7 118.24 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 134.5 46.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.18 -35.28 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.22 -175.53 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -6.35 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.35 -11.25 22.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -90.86 173.9 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.8 p -145.32 135.07 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 90.8 m -73.93 134.1 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.8 mt -126.98 173.88 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -126.05 166.4 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 10.6 tt0 -65.18 127.04 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 69.63 48.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -109.36 149.65 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 57' ' ' LEU . 48.3 t -102.81 138.96 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 56' ' ' ARG . 43.2 t -139.84 127.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.2 tp -86.72 109.95 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 47' ' ' GLN . 84.2 t -60.18 139.43 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 16.9 mt -120.15 -40.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.77 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.549 ' HG3' HG11 ' A' ' 44' ' ' VAL . 8.7 mt-30 -92.1 117.34 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.8 tt0 -124.87 115.68 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 m-20 -39.37 102.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.11 -48.26 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.556 ' C ' HD22 ' A' ' 52' ' ' LEU . 67.3 m95 -131.26 139.62 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.3 119.37 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 44.3 t80 -90.39 144.19 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.9 -171.34 32.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.743 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tm-20 -126.82 106.76 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.651 ' HA ' HG22 ' A' ' 42' ' ' VAL . 44.9 ttp180 -59.97 91.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.4 mm? -38.94 -44.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HB3' ' HG2' ' A' ' 56' ' ' ARG . 42.3 ttt85 -35.77 -65.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -112.3 23.97 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 41.67 27.48 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -82.74 133.48 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.743 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -108.58 110.1 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -175.07 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.7 m95 -96.5 127.13 42.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.741 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 p90 -131.04 132.75 24.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 146.73 32.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.577 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.98 -35.71 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.11 -26.49 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 26.9 m-85 -107.2 39.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -174.75 156.72 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -127.21 114.62 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.757 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.5 m-85 -53.39 103.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.99 -62.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.15 94.17 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.96 -144.17 4.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 115.39 4.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.3 m -138.86 139.38 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -119.23 94.03 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -137.39 166.42 23.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -98.43 167.51 10.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.35 -142.03 3.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -116.39 154.45 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.29 164.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.18 106.07 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -115.87 -63.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 64.03 84.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.42 100.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.31 105.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.88 82.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.8 137.11 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 166.45 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.14 -76.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -144.28 31.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 44' ' ' VAL . 32.7 mt -49.67 161.43 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.77 32.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -126.43 142.62 51.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 72' ' ' PHE . 27.5 m -127.62 141.34 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.13 116.07 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' A' ' 70' ' ' ALA . 45.9 mm -63.64 106.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.0 p -60.91 -49.81 75.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -128.05 154.72 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 145.54 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -122.59 86.56 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' HA ' HG23 ' A' ' 35' ' ' THR . 25.0 m-85 -61.28 97.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.34 133.53 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.25 -34.2 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 4.1 mt-30 -93.48 177.83 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -6.06 55.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.71 -22.01 17.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 38.8 mt-10 -83.17 171.62 13.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.8 p -142.92 139.6 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.45 HG23 ' HA ' ' A' ' 27' ' ' PHE . 2.9 m -72.02 136.26 46.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.695 HD23 ' HD3' ' A' ' 56' ' ' ARG . 1.8 mt -131.91 158.59 40.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -110.65 161.38 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 2.2 tt0 -63.13 127.5 31.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.77 47.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.74 153.89 22.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 57' ' ' LEU . 43.9 t -107.1 141.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.4 t -143.85 128.58 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' GLU . 10.9 tp -86.66 109.61 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' A' ' 47' ' ' GLN . 89.7 t -59.54 139.91 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' A' ' 55' ' ' GLU . 15.2 mt -119.17 -40.5 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.17 122.13 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' HG3' HG11 ' A' ' 44' ' ' VAL . 11.6 mt-30 -98.88 115.16 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.7 tt0 -123.22 115.67 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.6 t0 -39.39 102.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.37 -42.14 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 36.6 m95 -141.58 147.55 37.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.74 118.63 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CZ ' HG22 ' A' ' 62' ' ' THR . 49.5 t80 -91.43 142.64 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.15 -171.98 31.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 45' ' ' LEU . 2.0 tt0 -125.17 129.13 49.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.695 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.7 ttp85 -72.23 112.5 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 HG12 ' A' ' 41' ' ' VAL . 3.0 mm? -61.9 -14.42 34.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 3.6 ttt-85 -57.31 -66.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -117.52 -25.69 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 116.04 -0.21 21.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.588 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.2 125.46 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.572 HG22 ' CZ ' ' A' ' 53' ' ' TYR . 2.6 m -108.78 116.24 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -146.46 -174.95 19.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.2 m95 -98.02 120.73 38.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.749 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.2 p90 -123.02 132.52 24.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.92 153.51 42.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.78 -35.74 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -23.25 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.552 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 37.9 m-85 -110.01 29.2 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.617 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -160.71 165.41 30.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -133.3 109.2 9.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.966 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.3 m-85 -52.74 128.03 25.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.7 mt -110.24 101.8 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.66 59.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.88 160.19 32.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.74 26.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.21 165.79 22.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.8 p -119.95 111.18 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.57 116.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -140.97 146.03 36.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.4 76.21 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -170.19 159.43 7.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.29 -58.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.55 -160.9 17.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -147.9 109.2 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.54 -69.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.84 -139.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.37 119.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 p -57.92 -18.17 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.495 ' O ' ' C ' ' A' ' 14' ' ' LYS . 49.3 m -96.1 168.41 10.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 32.24 87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.11 -72.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -109.99 30.34 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.1 mt -73.71 164.22 62.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 163.68 34.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 43' ' ' LEU . 21.6 mt-30 -147.3 150.42 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 65' ' ' PHE . 10.2 m -135.54 137.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -92.96 118.6 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 70' ' ' ALA . 43.0 mm -65.5 108.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.617 HG22 ' HE ' ' A' ' 71' ' ' ARG . 31.5 p -64.93 -35.35 80.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -143.36 148.72 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.8 157.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 4.1 t80 -140.95 85.44 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -60.6 111.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 132.86 49.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -29.83 8.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.65 178.22 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -4.98 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.07 -15.03 14.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.514 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 92.7 mt-10 -81.35 161.31 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.15 139.97 46.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 55.4 m -74.04 134.27 42.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD23 ' HD3' ' A' ' 56' ' ' ARG . 5.7 mt -129.56 161.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.74 176.1 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.507 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.4 tm0? -73.17 127.07 31.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 71.76 46.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.79 133.91 53.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.68 139.5 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.2 t -135.66 132.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD12 ' HG3' ' A' ' 19' ' ' GLN . 6.8 tp -86.98 109.95 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG11 ' HG3' ' A' ' 47' ' ' GLN . 78.0 t -60.38 139.32 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.582 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.1 mt -120.91 -40.99 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.71 116.69 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.568 ' HG3' HG11 ' A' ' 44' ' ' VAL . 21.3 mt-30 -93.52 114.12 26.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.9 tt0 -122.02 115.67 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 m-20 -39.42 102.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.65 -45.75 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.56 ' C ' HD22 ' A' ' 52' ' ' LEU . 68.1 m95 -133.94 140.34 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.889 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.89 115.49 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 52.1 t80 -87.66 142.54 27.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -163.93 -170.28 28.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.662 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.16 128.36 43.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.545 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.6 ttp180 -68.98 116.34 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 43' ' ' LEU . 3.0 mm? -66.1 -11.6 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -62.46 -65.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 61' ' ' GLU . 9.5 t70 -113.33 -25.53 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 2.75 28.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' OE1' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -56.78 127.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.662 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.3 m -107.03 115.63 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -174.74 19.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.4 m95 -95.57 137.06 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.6 p90 -141.32 131.96 13.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 149.05 36.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.566 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.35 -36.0 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.93 -24.06 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 51.0 m-85 -110.06 35.97 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -172.04 163.35 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.617 ' HE ' HG22 ' A' ' 23' ' ' THR . 2.5 ptp180 -138.56 129.78 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 20' ' ' VAL . 20.5 m-85 -66.97 106.62 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.17 -68.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.25 101.89 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.53 -76.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.49 42.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.9 m -88.74 -58.53 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t 63.71 144.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.0 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -172.39 164.57 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.94 126.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -164.25 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 p -78.46 165.97 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.88 -137.83 3.36 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -87.82 88.41 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -44.5 -59.77 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.03 -136.77 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 49.62 74.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.01 79.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -165.86 88.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -143.78 153.3 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.83 -108.06 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -119.0 69.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.79 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 44' ' ' VAL . 13.8 mt -65.26 163.79 28.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 146.3 32.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HG3' HD12 ' A' ' 43' ' ' LEU . 25.3 mt-30 -124.14 149.28 46.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.721 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.4 m -137.19 140.24 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -98.39 117.22 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 24' ' ' LYS . 28.2 mm -61.78 118.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.5 p -76.43 -42.47 43.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.83 152.38 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -65.37 121.63 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 35' ' ' THR . 14.6 t80 -94.68 133.97 37.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -106.81 104.21 13.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.99 137.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -114.99 -36.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -98.16 176.42 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.75 -9.48 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -116.11 49.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 76.2 mt-10 -135.56 163.44 30.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 61' ' ' GLU . 6.2 p -134.38 134.38 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 26' ' ' PHE . 78.9 m -80.54 131.51 35.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.666 HD23 ' HD3' ' A' ' 56' ' ' ARG . 2.2 mt -122.56 164.76 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.521 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.2 tm0? -69.86 126.86 30.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 73.01 49.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.2 141.28 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 HD23 ' A' ' 57' ' ' LEU . 50.9 t -95.92 137.68 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 56' ' ' ARG . 42.4 t -139.34 129.54 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 19' ' ' GLN . 33.4 tp -86.86 109.67 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.559 HG11 ' HG3' ' A' ' 47' ' ' GLN . 85.9 t -60.8 135.14 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.581 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 7.1 mt -116.19 -42.35 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.02 111.49 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.559 ' HG3' HG11 ' A' ' 44' ' ' VAL . 8.6 mt-30 -87.34 110.38 20.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 51' ' ' TRP . 3.8 tp10 -117.26 141.59 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.99 102.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -35.01 3.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 66.2 m95 -142.43 140.83 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.78 112.35 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.2 t80 -83.17 141.35 32.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -162.59 -170.52 27.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER -128.39 120.74 27.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.666 ' HD3' HD23 ' A' ' 36' ' ' LEU . 24.6 ttp180 -64.03 115.74 5.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 HG12 ' A' ' 41' ' ' VAL . 3.3 mm? -62.34 -25.65 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -43.2 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -26.44 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 114.32 21.28 5.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.522 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -70.61 124.82 25.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.288 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.581 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -106.4 113.32 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.58 -174.85 19.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.0 m95 -96.49 124.29 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.721 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.6 p90 -129.55 132.56 24.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.0 151.31 39.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.512 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.68 -35.31 70.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -27.22 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 24.4 m-85 -102.25 22.46 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -154.7 170.05 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -137.62 111.76 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.663 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.1 m-85 -52.6 101.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.66 -61.12 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.7 p -155.92 140.15 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.75 139.92 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.17 -62.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.55 80.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.56 166.67 10.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.31 162.47 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.63 -80.2 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.98 171.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.025 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m 59.84 160.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.19 -67.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.626 ' HB3' HD13 ' A' ' 11' ' ' LEU . 1.4 m-90 -75.88 90.92 2.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -62.23 -52.95 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.99 107.94 3.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 8' ' ' TRP . 3.7 tp -132.13 150.01 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -127.24 95.61 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -170.2 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.18 146.06 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.05 -97.3 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -90.01 45.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 44' ' ' VAL . 16.3 mt -55.14 162.04 2.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.35 21.63 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.559 ' CG ' HD12 ' A' ' 43' ' ' LEU . 62.6 mt-30 -121.98 135.58 54.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 72' ' ' PHE . 26.3 m -120.28 140.81 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -96.7 120.3 36.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.656 HD13 ' HB2' ' A' ' 70' ' ' ALA . 24.0 mm -67.23 130.39 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -87.99 -25.71 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.42 144.65 24.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -50.08 138.16 16.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.4 t80 -117.74 84.83 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -56.57 115.89 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 133.98 51.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -34.93 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.63 -173.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.17 -9.23 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -99.1 -14.42 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -84.39 159.28 20.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.5 p -133.06 135.91 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -72.82 132.24 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD23 ' HD3' ' A' ' 56' ' ' ARG . 3.8 mt -126.01 170.54 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -125.08 171.11 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 42.1 tt0 -66.2 128.8 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 67.89 49.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -113.21 131.97 55.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.687 HG12 HD12 ' A' ' 57' ' ' LEU . 85.0 t -92.54 139.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.86 134.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HB2' HD21 ' A' ' 57' ' ' LEU . 7.1 tp -88.25 109.72 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.529 ' O ' HD13 ' A' ' 17' ' ' LEU . 80.1 t -60.24 139.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.552 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.82 -40.78 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.12 122.38 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' HG3' HG11 ' A' ' 44' ' ' VAL . 1.6 mt-30 -99.58 112.19 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.6 tp10 -119.96 115.5 23.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -38.11 102.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.69 -40.84 1.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 54.7 m95 -141.44 149.26 40.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.78 113.75 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 37.5 t80 -85.37 143.76 28.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.48 -174.54 36.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.1 OUTLIER -129.24 122.3 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.62 ' HD3' HD23 ' A' ' 36' ' ' LEU . 17.0 ttp180 -62.28 117.61 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.687 HD12 HG12 ' A' ' 41' ' ' VAL . 4.1 mt -68.09 -11.2 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -62.72 -64.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.03 -25.65 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.88 9.63 24.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.648 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.3 mt-10 -60.77 125.7 24.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.926 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -109.58 110.28 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.36 -175.2 19.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 84.8 m95 -93.71 127.83 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.761 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 p90 -131.66 132.08 23.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.0 Cg_endo -75.04 152.68 40.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.486 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.36 -35.8 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -21.12 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.8 m-85 -110.62 28.36 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.656 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -161.96 161.92 28.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -131.62 112.88 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.238 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.762 ' HA ' HG12 ' A' ' 20' ' ' VAL . 5.4 m-85 -54.48 100.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.2 mt -58.97 -52.06 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.45 131.54 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.38 -135.1 3.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.66 34.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 t 62.45 93.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 m -55.45 125.55 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -100.62 168.34 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -59.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.84 120.39 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.7 98.28 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.82 -59.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.2 176.51 19.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -82.42 139.41 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.73 176.07 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.15 109.45 2.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 mt -101.38 101.89 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.25 -59.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.0 m -156.8 123.75 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 155.68 49.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.94 -124.6 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.35 34.41 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 44' ' ' VAL . 18.8 mt -41.75 161.31 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 59.56 150.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 65' ' ' PHE . 4.3 m -140.84 150.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.93 121.94 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' A' ' 70' ' ' ALA . 32.8 mm -66.21 129.07 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.9 p -89.42 -23.4 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -150.52 148.21 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.34 134.15 53.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.56 85.07 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -59.27 105.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -62.31 133.68 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -107.85 -33.58 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt-30 -89.04 -176.74 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.72 -1.46 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.88 -20.68 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 35.1 mt-10 -80.78 -177.63 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.499 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.6 p -152.52 131.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 95.5 m -66.75 132.7 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.5 mt -128.24 171.84 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -125.44 177.08 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 38.2 tt0 -73.96 127.91 34.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.54 40.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.84 130.14 51.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 t -90.54 135.39 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 56' ' ' ARG . 43.2 t -131.72 131.43 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.661 HD11 HD12 ' A' ' 17' ' ' LEU . 8.5 tp -86.48 109.24 18.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.78 ' O ' HD13 ' A' ' 17' ' ' LEU . 94.3 t -61.03 139.12 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.7 mt -120.98 -40.99 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 118.38 11.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.524 ' HG3' HG11 ' A' ' 44' ' ' VAL . 12.4 mt-30 -95.65 115.77 27.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.0 tt0 -125.18 115.6 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 t0 -39.71 103.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.73 -43.09 1.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 39.0 m95 -140.94 145.58 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.36 118.39 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 48.4 t80 -89.69 142.9 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.74 -174.32 35.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.657 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.9 OUTLIER -124.12 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.698 ' HD3' HD23 ' A' ' 36' ' ' LEU . 40.8 ttp180 -60.45 106.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.544 HD13 ' OE2' ' A' ' 55' ' ' GLU . 2.9 mm? -54.66 -24.24 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' A' ' 56' ' ' ARG . 21.2 ttt180 -43.93 -66.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -26.17 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 112.07 17.59 8.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -71.09 128.85 37.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.657 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -107.59 113.26 26.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.34 -175.0 18.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.2 m95 -96.83 118.86 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.9 p90 -122.36 132.65 24.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.05 152.15 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.86 -35.82 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -22.77 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 43.8 m-85 -109.81 31.69 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.68 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -165.75 159.39 16.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 11.1 mtp-105 -127.73 113.07 15.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.565 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.5 m-85 -54.19 133.36 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 74' ' ' SER . 10.3 mt -107.48 99.51 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.3 t 84.03 62.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.33 1.98 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.514 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 m -127.19 117.24 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -149.99 124.0 9.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 59.82 105.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -73.81 104.71 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.42 -171.45 12.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p 58.98 112.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 0.72 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -64.5 159.98 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 128.89 1.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -100.71 -70.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.82 -58.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.92 79.1 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.3 mt -135.47 96.99 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.25 -59.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.61 130.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.08 178.31 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.22 -115.73 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.05 68.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' HB2' HD11 ' A' ' 43' ' ' LEU . 18.3 mt -88.75 161.82 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 151.14 38.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -129.8 147.5 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.756 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.5 m -131.54 144.8 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -101.36 116.34 32.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.598 HG13 HD13 ' A' ' 36' ' ' LEU . 9.2 mm -65.07 101.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 15.5 p -56.68 -47.06 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 22.3 pttt -134.92 143.6 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -43.9 154.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 7.3 t80 -135.7 80.87 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -54.03 106.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.42 133.22 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.73 -34.48 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 34.9 mt-30 -86.54 -178.5 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.86 -2.74 46.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -18.64 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -84.61 165.97 17.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.1 p -139.98 132.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -67.03 129.95 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 HG13 ' A' ' 22' ' ' ILE . 3.3 mt -123.36 159.35 29.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -109.84 162.44 14.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 7.1 tm0? -63.66 126.75 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.53 50.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.06 138.29 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.81 139.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 56' ' ' ARG . 25.5 t -137.99 138.69 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.728 ' HB2' HD21 ' A' ' 57' ' ' LEU . 19.3 tp -90.28 110.08 21.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.558 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 91.1 t -62.09 139.06 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.0 mt -120.03 -40.73 2.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.38 133.4 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.646 ' HG2' HD12 ' A' ' 52' ' ' LEU . 9.5 mt-30 -112.44 120.64 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -127.68 115.7 19.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -37.84 102.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.09 -42.64 1.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.718 ' C ' HD22 ' A' ' 52' ' ' LEU . 44.4 m95 -142.22 159.44 42.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.912 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.15 139.77 52.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -110.18 144.38 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.48 -175.28 36.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.593 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tt0 -126.16 114.22 18.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.637 ' HA ' HG22 ' A' ' 42' ' ' VAL . 10.9 ttp180 -56.84 116.22 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -67.32 -14.64 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -57.78 -65.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -25.38 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.47 -3.29 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.04 124.03 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.593 HG23 ' HB2' ' A' ' 55' ' ' GLU . 2.3 m -104.92 113.19 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.41 -175.04 19.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -99.12 119.34 37.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.756 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.7 p90 -114.95 140.39 25.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.96 149.2 36.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.642 ' HG2' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -77.04 -36.11 56.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.86 -31.15 37.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 7.0 m-30 -108.59 33.52 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -150.41 151.0 32.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 15.5 mtm180 -121.94 106.37 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.691 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.8 m-85 -54.49 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.83 -59.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -138.6 118.29 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.57 -150.79 5.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.71 3.31 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m 61.97 145.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -138.65 151.61 47.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 78.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -40.69 -57.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.6 -147.63 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -115.29 120.63 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -71.57 162.41 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.29 -72.0 1.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CG ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.53 174.1 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -62.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 -94.12 1.05 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD12 ' CG ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER 71.11 168.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -72.21 151.66 42.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m 62.97 126.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.61 80.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.08 -74.38 0.36 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 35.9 m-20 -131.86 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -40.08 152.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.02 140.43 43.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 65' ' ' PHE . 8.4 m -128.15 135.02 63.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -94.48 116.18 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.743 HD13 ' HB2' ' A' ' 70' ' ' ALA . 35.8 mm -62.33 131.44 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 76.4 p -88.0 -46.87 8.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -121.37 151.14 40.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 125.26 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 35' ' ' THR . 14.2 t80 -102.6 131.98 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.78 109.33 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -78.81 120.77 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -95.58 -30.18 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 5.0 mt-30 -94.43 158.03 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.35 -6.33 47.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -28.36 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 53.6 mt-10 -76.41 172.17 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.62 HG23 ' HG2' ' A' ' 61' ' ' GLU . 2.1 p -140.15 128.73 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 26' ' ' PHE . 96.3 m -76.39 127.37 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.922 HD22 HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -120.39 177.76 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -133.79 161.06 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.5 tt0 -56.99 123.47 15.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.68 47.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.96 135.13 54.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 57' ' ' LEU . 47.5 t -94.9 138.82 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.922 HG21 HD22 ' A' ' 36' ' ' LEU . 55.7 t -135.88 134.26 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 20.7 tp -86.01 110.66 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 57.7 t -66.81 146.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.607 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 4.5 mt -125.15 -40.62 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.53 121.81 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.511 ' HG2' HD12 ' A' ' 52' ' ' LEU . 8.0 mt-30 -99.01 108.47 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -118.95 118.08 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.09 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.63 -50.7 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.586 ' C ' HD22 ' A' ' 52' ' ' LEU . 52.4 m95 -132.54 142.84 49.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.896 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.68 111.4 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 18.6 t80 -78.59 143.37 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -171.15 179.3 43.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.899 ' HB2' HG23 ' A' ' 62' ' ' THR . 2.0 tm-20 -120.71 117.3 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.864 ' HD3' HD23 ' A' ' 36' ' ' LEU . 28.0 ttp180 -67.26 108.62 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.7 HD13 ' OE2' ' A' ' 55' ' ' GLU . 2.9 mm? -55.33 -27.49 47.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 7.5 ttt180 -41.13 -66.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -112.23 -26.5 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 100.88 30.87 5.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HG2' HG23 ' A' ' 34' ' ' VAL . 4.9 tt0 -92.58 123.39 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.899 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -94.04 116.54 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.32 -174.89 19.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 82.5 m95 -97.94 116.13 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.0 p90 -118.75 132.71 23.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.9 146.92 33.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -66.55 -36.24 82.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -30.42 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 14.4 m-85 -104.56 37.35 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.743 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -170.1 156.42 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mtp-105 -126.29 112.69 16.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.562 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.4 m-85 -52.95 103.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.0 -57.7 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.82 127.19 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.96 120.44 0.77 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.97 24.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.0 p -164.05 93.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.931 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -78.66 133.28 37.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -142.13 129.51 21.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -165.1 171.11 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.49 96.92 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.17 127.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -174.99 150.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.61 100.45 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.89 119.19 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.56 152.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.2 -130.05 9.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.03 73.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.54 -60.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.52 92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.038 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.41 173.51 6.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.3 -99.67 0.17 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -119.31 29.53 7.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.219 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 44' ' ' VAL . 19.6 mt -48.33 159.88 0.48 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.82 28.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -127.13 136.89 52.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 72' ' ' PHE . 22.7 m -123.55 140.34 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.21 119.06 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 70' ' ' ALA . 28.1 mm -65.65 118.36 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 p -74.51 -30.81 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 1.8 pttt -148.68 146.2 28.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -45.53 155.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 6.6 t80 -137.94 84.05 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -59.76 105.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.45 142.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -111.72 -33.37 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -109.99 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.18 -8.01 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.01 -12.98 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -85.36 150.91 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.587 HG21 ' HB3' ' A' ' 61' ' ' GLU . 1.6 p -122.91 146.77 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 86.1 m -81.36 129.74 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 22' ' ' ILE . 3.7 mt -124.73 165.26 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.0 177.04 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 16.0 tt0 -72.16 127.57 32.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.03 45.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -110.54 129.85 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.782 HG12 HD12 ' A' ' 57' ' ' LEU . 97.7 t -94.28 128.63 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 56' ' ' ARG . 20.4 t -122.96 138.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HB2' HD21 ' A' ' 57' ' ' LEU . 8.0 tp -86.49 109.4 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' A' ' 47' ' ' GLN . 96.0 t -61.04 140.62 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 55' ' ' GLU . 17.7 mt -120.78 -41.61 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.3 122.38 13.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.502 ' HG3' HG11 ' A' ' 44' ' ' VAL . 11.9 mt-30 -99.55 107.75 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 51' ' ' TRP . 1.3 tt0 -116.2 116.7 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -39.27 103.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.31 -43.6 1.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 56.1 m95 -140.14 145.84 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 113.89 22.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.8 t80 -85.88 143.82 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -161.82 -175.46 32.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.918 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.77 105.0 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.593 ' HA ' HG22 ' A' ' 42' ' ' VAL . 2.5 ttp180 -38.1 145.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 41' ' ' VAL . 12.3 mt -97.19 -11.67 23.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -63.66 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -27.29 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 56' ' ' ARG . . . 120.83 -1.22 12.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -42.58 124.96 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.918 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -112.0 109.65 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 34' ' ' VAL . . . -147.61 -174.99 20.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.9 m95 -95.74 129.47 42.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.732 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.7 p90 -130.96 131.65 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 153.39 41.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.33 -35.63 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.99 -21.52 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.0 m-85 -111.11 27.54 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -159.34 158.25 31.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -128.15 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.786 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.5 m-85 -53.15 104.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.64 -57.04 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.01 128.72 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.43 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.62 3.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -132.9 153.04 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.84 -57.54 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -119.32 -58.57 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 0.728 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -169.11 -58.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.74 142.16 4.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.3 116.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.734 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 134.32 51.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.09 110.87 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -124.25 79.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.03 80.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.07 104.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.87 127.7 50.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m 63.72 89.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 43' ' ' LEU . 59.6 m -166.83 114.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' CB ' ' HG ' ' A' ' 17' ' ' LEU . 9.5 tttm -44.85 -54.72 6.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.37 -54.55 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.96 35.89 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 14' ' ' LYS . 17.2 mt -57.13 163.1 3.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 142.67 28.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -130.63 136.04 48.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.1 m -121.22 136.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.62 117.32 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.702 ' CD1' HD13 ' A' ' 36' ' ' LEU . 21.7 mm -64.57 130.27 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -87.67 -41.97 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.73 153.43 45.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.85 21.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' A' ' 36' ' ' LEU . 22.5 t80 -103.43 117.22 33.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -85.85 110.89 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -72.07 124.51 25.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -104.11 -30.27 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 mt-30 -84.01 174.97 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.82 -0.28 57.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.5 OUTLIER -111.53 -17.29 13.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.488 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 43.1 mt-10 -73.13 164.06 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 61' ' ' GLU . 2.6 p -134.64 129.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.497 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 2.0 m -71.87 130.99 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.892 HD23 ' HD3' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -124.89 174.4 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -133.81 161.84 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.6 tt0 -58.5 123.54 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 73.44 47.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.29 139.7 49.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.01 138.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 36' ' ' LEU . 42.6 t -135.82 135.06 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.572 ' HB2' HD21 ' A' ' 57' ' ' LEU . 29.6 tp -85.77 110.18 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.639 HG11 ' HG3' ' A' ' 47' ' ' GLN . 72.6 t -65.13 139.55 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.627 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 5.8 mt -121.68 -41.33 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 111.91 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.639 ' HG3' HG11 ' A' ' 44' ' ' VAL . 9.6 mt-30 -89.08 112.28 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.7 tt0 -120.04 130.96 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.64 -39.53 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.574 ' C ' HD22 ' A' ' 52' ' ' LEU . 66.6 m95 -140.77 135.62 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.883 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.78 115.85 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -82.87 145.4 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -172.52 -174.58 39.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.804 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.8 OUTLIER -125.84 123.26 38.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.892 ' HD3' HD23 ' A' ' 36' ' ' LEU . 19.4 ttp180 -71.58 106.53 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.608 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.7 mm? -54.94 -19.31 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 1.8 ttt85 -51.48 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.71 -26.19 9.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 99.31 26.94 8.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 34' ' ' VAL . 2.1 tt0 -91.1 119.37 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.804 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -89.47 118.87 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.7 -174.64 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.496 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 81.1 m95 -97.35 129.89 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.4 p90 -135.96 132.06 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -74.99 150.54 38.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.579 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.36 -35.5 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -30.33 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 9.5 m-85 -101.56 26.28 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -155.97 163.97 39.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -133.38 107.73 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.645 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.9 m-85 -52.82 106.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.41 -54.02 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.69 127.76 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.7 -86.42 0.58 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.03 6.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.54 139.83 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -122.98 167.94 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.32 169.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -73.03 141.95 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.02 -173.65 19.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -102.14 170.3 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -58.67 3.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.72 124.33 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.51 142.67 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.66 165.95 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.12 91.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.63 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 0.768 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.3 102.19 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.43 105.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.045 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -160.22 161.91 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.22 -143.84 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -57.34 -40.48 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 43' ' ' LEU . 6.7 mt 56.0 165.33 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.77 11.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -121.48 135.8 55.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' ' 72' ' ' PHE . 35.1 m -119.74 137.68 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.85 118.21 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' A' ' 70' ' ' ALA . 35.3 mm -62.85 125.45 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.6 p -83.19 -30.48 27.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -145.46 151.39 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -58.09 137.83 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 11.3 t80 -118.13 84.42 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -59.75 108.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -60.09 131.82 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.38 -33.61 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.6 mm-40 -96.55 -173.71 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.62 -5.76 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.52 -13.1 19.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -91.08 173.43 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.8 p -144.41 139.06 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.3 m -71.99 134.68 46.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.2 mt -131.44 164.46 25.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -118.8 173.57 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 35.3 tt0 -71.44 126.97 31.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.7 48.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -111.5 134.99 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 HD12 ' A' ' 57' ' ' LEU . 87.1 t -94.32 137.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 56' ' ' ARG . 51.8 t -137.09 135.02 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 17' ' ' LEU . 24.2 tp -87.58 109.7 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 91.7 t -61.74 139.83 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.0 mt -118.67 -40.47 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 123.12 14.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.499 ' HG3' HG11 ' A' ' 44' ' ' VAL . 13.9 mt-30 -101.13 113.79 27.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.2 tp10 -120.65 116.19 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -38.94 102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.95 -48.68 0.96 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.592 ' C ' HD22 ' A' ' 52' ' ' LEU . 41.4 m95 -134.94 148.44 50.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.897 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.75 130.01 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.7 t80 -103.51 143.46 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.84 -172.97 34.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.834 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tm-20 -127.97 108.28 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.67 ' HA ' HG22 ' A' ' 42' ' ' VAL . 34.3 ttp180 -55.37 117.4 3.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD12 HG12 ' A' ' 41' ' ' VAL . 3.8 mt -66.15 -21.53 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -45.51 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.08 -14.74 10.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 97.98 24.86 11.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.614 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -76.34 131.04 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -110.66 110.64 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.438 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.67 -175.19 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 73.3 m95 -97.44 115.96 28.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.718 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.2 p90 -117.66 132.88 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.97 154.52 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -76.41 -35.03 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -20.3 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 46.3 m-85 -108.81 17.73 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.567 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -150.82 170.9 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 11.8 mtp-105 -138.56 112.21 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.921 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.4 m-85 -53.64 104.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.13 -55.17 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.28 106.74 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.27 -85.03 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.7 p -133.5 120.03 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -95.92 -58.8 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 65' ' ' PHE . 24.8 m -129.27 140.75 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' ASP . 44.8 tt0 -95.06 117.65 30.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.708 HD13 ' HB2' ' A' ' 70' ' ' ALA . 24.2 mm -64.99 110.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 73.4 p -65.92 -38.42 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 3.9 pttp -139.28 150.25 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -49.67 149.14 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.2 t80 -129.95 82.3 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.76 119.08 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.65 131.55 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.81 -34.99 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 7.6 mt-30 -86.6 -174.75 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.99 -6.15 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.14 -26.68 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -72.81 144.01 47.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.54 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 3.5 p -115.81 144.2 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 88.7 m -80.37 129.47 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' HD3' ' A' ' 56' ' ' ARG . 1.9 mt -124.84 159.83 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -111.63 177.25 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 12.7 tt0 -75.58 126.23 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.08 48.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 5.9 m-20 -104.79 177.68 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 57' ' ' LEU . 35.1 t -131.03 133.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.634 HG21 HD22 ' A' ' 36' ' ' LEU . 64.0 t -137.63 130.33 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.8 tp -86.76 109.61 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' A' ' 47' ' ' GLN . 87.2 t -58.58 139.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 14.0 mt -121.98 -41.22 2.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.34 118.59 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' HG3' HG11 ' A' ' 44' ' ' VAL . 10.5 mt-30 -95.35 113.15 24.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.0 tt0 -120.23 115.3 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLU . 4.9 m-20 -38.67 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.57 -44.78 1.22 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 58.2 m95 -135.15 143.74 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.897 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.01 116.15 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -87.66 142.67 27.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.36 -172.57 31.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.823 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.3 OUTLIER -130.0 118.16 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.748 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.3 ttp180 -60.73 117.14 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -65.68 -18.64 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 13.3 ttt-85 -52.3 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.03 -26.02 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 8.86 23.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -61.24 127.85 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.823 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -107.93 113.33 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.447 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.54 -174.58 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -95.57 132.45 40.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.5 p90 -136.46 130.78 18.18 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.06 153.52 41.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.81 -35.55 64.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -22.62 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.9 m-85 -107.13 24.3 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.708 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -158.23 168.95 25.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -136.77 111.37 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.755 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.7 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' A' ' 65' ' ' PHE . 18.3 m -132.75 141.62 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -97.74 118.23 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.714 HD13 ' HB2' ' A' ' 70' ' ' ALA . 40.2 mm -65.4 112.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.4 p -69.72 -34.87 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 22' ' ' ILE . 11.5 pttt -142.22 151.14 41.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.21 147.84 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.1 t80 -127.99 80.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -56.48 114.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -73.09 137.16 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.5 -34.54 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.7 mt-30 -94.22 178.24 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.41 -7.3 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.63 -19.73 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 25.4 mt-10 -85.29 172.09 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.75 138.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.0 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD23 ' HD3' ' A' ' 56' ' ' ARG . 2.5 mt -130.48 166.65 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -119.27 166.4 13.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 23.4 tt0 -65.63 127.13 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.62 46.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.06 148.84 30.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.582 HG12 HD23 ' A' ' 57' ' ' LEU . 63.9 t -103.91 140.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.6 t -139.64 129.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HB2' HD21 ' A' ' 57' ' ' LEU . 29.8 tp -86.8 109.82 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.57 HG11 ' HG3' ' A' ' 47' ' ' GLN . 82.7 t -60.43 139.83 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.0 mt -120.0 -40.54 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.3 120.54 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' A' ' 44' ' ' VAL . 33.9 mt-30 -97.89 113.3 25.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tp10 -120.93 115.3 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -38.86 103.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.81 -41.38 1.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.576 ' C ' HD22 ' A' ' 52' ' ' LEU . 51.9 m95 -141.61 147.78 38.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 119.63 35.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 39.7 t80 -91.73 143.44 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.16 -173.5 35.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.3 tm-20 -127.41 129.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.683 ' HD3' HD23 ' A' ' 36' ' ' LEU . 9.6 ttp180 -69.3 117.27 10.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 41' ' ' VAL . 3.0 mm? -66.58 -11.57 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -62.61 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.43 -25.63 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.09 8.09 26.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.31 126.84 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -107.97 113.37 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -176.05 19.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 80.2 m95 -94.84 129.54 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.9 p90 -133.06 132.26 22.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.02 152.88 41.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.762 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.73 -35.53 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -24.86 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 44.2 m-85 -107.49 32.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -167.56 163.77 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -134.0 113.46 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.688 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.564 ' HG2' HD12 ' A' ' 43' ' ' LEU . 22.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.759 HG21 ' CE1' ' A' ' 65' ' ' PHE . 15.7 m -131.57 142.31 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.67 120.64 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 9.9 mm -63.52 127.46 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.9 p -87.86 -21.17 25.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -152.29 145.92 24.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -55.17 129.77 39.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB3' HD12 ' A' ' 36' ' ' LEU . 10.0 t80 -111.42 90.7 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -63.78 98.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -43.12 134.63 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -34.61 6.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mt-30 -93.75 -174.66 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.71 -8.78 39.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -22.08 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -74.28 174.79 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 2.5 p -148.14 138.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.6 m -68.52 133.39 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 56' ' ' ARG . 3.7 mt -130.95 167.49 18.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -122.62 176.66 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 37.8 tt0 -73.29 125.29 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.81 46.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.75 130.04 55.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.8 139.28 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.93 131.43 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.575 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.6 tp -86.73 109.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.423 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 89.0 t -60.34 139.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.36 -40.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.58 122.98 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -100.52 113.34 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -120.67 114.81 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 t70 -38.82 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.55 -40.73 1.7 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 53.0 m95 -142.15 147.71 37.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.91 122.52 43.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 49.7 t80 -95.12 143.68 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.54 -171.69 32.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.724 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.0 OUTLIER -127.27 130.06 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.8 ttp180 -70.89 114.5 9.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -65.58 -11.69 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -61.53 -65.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -112.63 -25.54 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.06 5.15 29.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 129.5 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.724 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.3 m -108.15 114.8 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.64 -174.58 18.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.0 m95 -95.93 138.17 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.3 p90 -141.86 132.13 12.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 154.25 42.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.74 -34.95 62.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.57 -22.76 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 41.3 m-85 -108.64 18.81 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.93 165.77 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -136.49 110.88 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.604 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.3 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.798 HG21 ' CE1' ' A' ' 65' ' ' PHE . 15.5 m -137.41 143.18 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -102.22 119.91 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.569 HG13 HD13 ' A' ' 36' ' ' LEU . 14.9 mm -64.64 123.93 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -80.73 -26.1 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.1 pttt -151.09 148.23 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.95 138.25 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.6 t80 -122.34 86.92 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.73 114.1 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -59.73 131.95 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.79 -35.29 7.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mm-40 -93.05 -177.44 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.06 -7.25 49.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -21.51 14.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -69.76 -176.45 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.7 p -157.98 131.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 92.4 m -67.57 133.42 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.7 mt -128.91 171.27 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -125.13 177.03 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 43.0 tt0 -72.78 125.69 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.65 48.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.39 131.28 55.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.03 141.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 56' ' ' ARG . 41.9 t -138.81 129.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.565 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.9 tp -87.59 109.48 19.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 47' ' ' GLN . 83.2 t -60.87 137.53 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.4 mt -119.41 -41.14 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.29 119.06 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG3' HG11 ' A' ' 44' ' ' VAL . 9.9 mt-30 -95.84 113.29 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 5.8 tt0 -120.04 113.99 21.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.4 m-20 -38.35 102.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.97 -39.32 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.588 ' C ' HD22 ' A' ' 52' ' ' LEU . 55.9 m95 -140.66 145.45 36.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.43 115.83 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -88.37 143.92 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.35 -171.15 33.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.716 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.6 tt0 -127.17 119.59 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.611 ' HD3' HD23 ' A' ' 36' ' ' LEU . 42.0 ttp180 -66.5 101.6 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.63 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.5 mm? -52.21 -21.66 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -47.26 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.2 -25.54 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.49 11.01 22.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -68.71 125.94 28.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.2 m -104.7 113.1 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.14 -174.96 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -95.28 132.32 40.41 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.1 p90 -136.12 132.04 19.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.98 153.16 41.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.66 -35.02 65.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -22.4 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 45.3 m-85 -109.12 20.36 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.3 168.35 25.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.37 109.96 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.639 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.2 m-85 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG2' HD12 ' A' ' 43' ' ' LEU . 68.5 mt-30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 65' ' ' PHE . 16.9 m -131.9 139.45 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.42 118.5 33.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.741 HD13 ' HB2' ' A' ' 70' ' ' ALA . 41.8 mm -64.25 108.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -64.82 -37.6 88.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -140.06 150.92 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.28 158.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 6.3 t80 -143.29 80.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -63.53 102.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -57.16 141.11 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.2 -33.47 7.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.2 mm-40 -93.58 -173.76 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.84 -6.07 33.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.27 -20.75 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.622 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 10.0 mt-10 -86.52 175.0 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' OE1' ' A' ' 61' ' ' GLU . 3.2 p -144.76 144.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.1 mt -133.46 158.84 42.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -113.72 165.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 17.7 tt0 -63.52 127.64 32.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.45 49.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.82 139.66 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 57' ' ' LEU . 56.2 t -93.81 144.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -143.54 128.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' HD21 ' A' ' 57' ' ' LEU . 14.5 tp -86.76 109.85 19.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 97.6 t -61.41 139.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.4 mt -118.9 -40.07 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 117.99 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.539 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.3 117.35 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.9 tp10 -124.47 114.92 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' GLU . 12.6 m-20 -38.89 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.74 -44.99 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' C ' HD22 ' A' ' 52' ' ' LEU . 68.8 m95 -134.8 139.02 44.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.88 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.74 118.74 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -88.64 144.21 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.98 -173.69 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.45 131.48 50.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HD3' HD23 ' A' ' 36' ' ' LEU . 10.9 ttp180 -71.8 116.09 11.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.8 mm? -66.39 -11.46 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -63.23 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.2 -25.71 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.8 4.31 28.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.672 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -57.94 125.9 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.651 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.8 m -107.65 115.14 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.53 -174.81 18.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -96.68 131.03 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.724 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.0 p90 -134.82 132.97 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.05 149.14 36.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.587 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.74 -36.09 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.8 -26.3 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 36.8 m-85 -108.89 42.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.741 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -179.66 161.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 9.5 ptm180 -133.91 133.83 41.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.461 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.2 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.902 HG12 ' HA ' ' A' ' 72' ' ' PHE . 27.5 m -136.56 140.98 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -94.66 119.61 33.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.659 HD13 ' HB2' ' A' ' 70' ' ' ALA . 18.6 mm -67.2 107.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 38.9 p -60.67 -52.79 63.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.558 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -121.82 153.96 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -59.99 133.18 55.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 35' ' ' THR . 9.2 t80 -106.86 142.7 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -112.41 116.03 29.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.82 131.36 45.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.59 -34.4 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -97.82 -173.41 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.41 -6.83 49.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -100.55 -20.12 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.482 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 49.9 mt-10 -78.08 160.66 27.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -137.93 136.61 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 87.8 m -76.7 133.2 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.581 HD13 ' CD1' ' A' ' 22' ' ' ILE . 2.8 mt -127.04 159.04 35.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.0 173.7 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.6 tm0? -71.24 130.53 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.36 48.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 150.47 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -105.08 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.88 129.7 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.6 tp -86.68 109.82 19.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.536 HG11 ' HG3' ' A' ' 47' ' ' GLN . 98.6 t -59.64 139.81 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 12.8 mt -120.88 -40.73 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.35 119.02 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.536 ' HG3' HG11 ' A' ' 44' ' ' VAL . 13.0 mt-30 -97.01 113.64 25.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.7 tt0 -122.28 116.2 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.6 t0 -39.43 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.38 -41.62 1.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' C ' HD22 ' A' ' 52' ' ' LEU . 36.8 m95 -142.09 148.53 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.899 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.89 116.99 28.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -89.25 143.84 26.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.69 -173.57 37.3 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.6 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -124.48 129.78 51.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' GLY . 31.1 ttp180 -75.52 96.94 3.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.67 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.8 mm? -45.7 -26.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ttt-85 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -115.57 -25.69 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.72 4.87 22.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -59.73 129.26 41.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.543 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 2.0 m -113.74 114.42 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.68 18.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 75.5 m95 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.3 p90 -121.92 131.8 24.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.1 Cg_endo -74.97 154.53 42.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.13 -35.14 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -21.75 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 32.2 m-85 -108.13 21.72 16.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.659 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -155.77 170.77 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 111.51 7.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.902 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.0 m-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.647 HG21 ' CE1' ' A' ' 65' ' ' PHE . 2.6 m -134.93 146.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -108.52 115.33 29.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG13 HD13 ' A' ' 36' ' ' LEU . 6.6 mm -55.58 133.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.2 p -93.61 -40.28 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.1 150.49 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.96 133.06 38.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.0 t80 -116.33 82.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -60.95 113.7 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -68.63 138.81 55.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.59 -30.15 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 14.0 mt-30 -98.83 -175.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.3 -7.14 39.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.25 -26.08 16.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 9.0 mt-10 -79.08 178.91 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' A' ' 61' ' ' GLU . 3.3 p -150.73 134.73 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -69.16 133.77 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.8 mt -131.24 167.19 19.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -121.34 174.56 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.548 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.3 tm0? -73.07 124.18 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 75.36 47.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.57 125.02 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -83.33 135.89 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -135.72 132.23 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' HB2' HD21 ' A' ' 57' ' ' LEU . 7.1 tp -86.97 109.75 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 96.4 t -62.47 139.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.4 mt -117.83 -40.34 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.27 126.52 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.458 ' HG2' HD12 ' A' ' 52' ' ' LEU . 6.4 mt-30 -101.98 112.87 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tt0 -120.7 113.65 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -38.63 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.81 -40.73 1.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.588 ' C ' HD22 ' A' ' 52' ' ' LEU . 55.2 m95 -142.06 144.97 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.82 122.74 44.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 32.4 t80 -93.58 143.06 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.23 -175.15 37.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.61 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.1 tm-20 -124.86 132.29 53.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLY . 13.7 ttp180 -72.55 115.13 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 43' ' ' LEU . 3.0 mm? -65.54 -11.61 45.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.88 -65.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -114.23 -25.85 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.32 10.77 21.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -63.81 122.42 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.61 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.7 m -104.33 115.07 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.31 -174.8 18.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.4 m95 -97.4 123.35 41.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.647 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.8 p90 -126.45 132.68 24.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 154.58 42.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.96 -35.65 62.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -22.56 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 35.6 m-85 -110.81 27.37 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.562 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -161.1 166.4 28.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -137.49 133.9 35.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.5 ' HG3' HD12 ' A' ' 43' ' ' LEU . 32.1 mt-30 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.731 HG21 ' CE1' ' A' ' 65' ' ' PHE . 13.2 m -138.04 140.82 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -101.09 118.3 36.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 8.5 mm -61.35 130.94 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -91.94 -23.12 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -148.09 147.89 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . . . -58.41 130.9 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 10.7 t80 -113.4 85.54 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -63.68 98.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -54.38 141.57 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.36 -29.91 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 6.1 mm100 -96.35 -176.37 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.01 -6.66 41.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.66 -25.94 17.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 18.8 mt-10 -81.95 175.14 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.505 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.4 p -144.87 136.21 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.448 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 45.0 m -67.54 133.2 49.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD13 HG13 ' A' ' 22' ' ' ILE . 5.3 mt -130.53 168.43 17.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.549 ' OE1' ' HB2' ' A' ' 25' ' ' ALA . 63.9 mm-40 -126.87 176.58 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 53.6 tt0 -71.87 125.06 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.44 48.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.96 126.24 54.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 57' ' ' LEU . 40.5 t -83.59 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 56' ' ' ARG . 46.5 t -138.86 129.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 39.1 tp -87.69 109.8 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 88.9 t -61.66 139.5 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.9 mt -119.75 -40.42 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 122.4 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.473 ' HG3' HG11 ' A' ' 44' ' ' VAL . 7.2 mt-30 -99.26 117.77 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.1 tt0 -124.56 114.45 19.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -39.03 102.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.99 -41.73 1.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.598 ' C ' HD22 ' A' ' 52' ' ' LEU . 28.6 m95 -141.95 148.36 38.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.4 128.69 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.6 t80 -100.29 143.64 30.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.31 -175.03 38.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.757 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.9 OUTLIER -122.85 126.05 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 39.8 ttp180 -71.14 96.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.6 mm? -45.76 -25.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 56' ' ' ARG . 10.4 ttt180 -43.59 -65.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.29 -25.64 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 111.42 10.55 19.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.505 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -65.91 128.01 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.757 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -108.35 113.49 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.97 -174.9 18.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 74.0 m95 -97.64 122.4 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.8 p90 -124.23 133.53 24.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.98 153.72 42.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.518 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.47 -34.7 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -21.59 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 59.4 m-85 -108.88 20.29 18.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.02 168.58 24.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -139.38 110.85 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.655 ' HA ' HG12 ' A' ' 20' ' ' VAL . 6.6 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.833 HG12 ' HA ' ' A' ' 72' ' ' PHE . 22.1 m -136.36 140.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.54 123.81 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 70' ' ' ALA . 20.7 mm -68.33 119.67 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -76.23 -30.88 58.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -147.26 151.74 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.48 140.89 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.2 t80 -120.51 81.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -56.03 111.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -68.88 137.25 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.76 -34.36 6.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -94.9 -179.31 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.03 -6.76 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -22.17 17.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -84.94 173.74 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.7 p -144.14 139.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -75.6 132.21 40.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.9 mt -127.67 167.19 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -119.96 174.83 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 18.0 tt0 -70.92 128.25 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.22 45.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.65 133.09 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.62 140.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.3 t -137.94 130.9 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.53 ' HB2' HD21 ' A' ' 57' ' ' LEU . 40.6 tp -86.52 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG11 ' HG3' ' A' ' 47' ' ' GLN . 88.3 t -61.04 146.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.0 mt -128.14 -42.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -140.36 119.0 12.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' HG3' HG11 ' A' ' 44' ' ' VAL . 10.4 mt-30 -96.66 116.84 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -124.16 113.5 18.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -37.86 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.25 -41.16 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' C ' HD22 ' A' ' 52' ' ' LEU . 46.0 m95 -142.2 148.17 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.14 125.01 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.2 t80 -95.7 142.55 27.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -165.98 -175.43 36.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.5 tt0 -126.56 124.68 40.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.584 ' HD3' HD23 ' A' ' 36' ' ' LEU . 14.9 ttp180 -64.67 116.54 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.8 mm? -65.82 -11.51 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -62.69 -65.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -113.99 -25.7 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.78 11.83 20.07 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.462 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -64.11 124.31 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.1 m -106.39 114.63 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.37 -175.0 19.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.3 m95 -96.75 116.86 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.743 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.1 p90 -119.26 133.4 23.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.07 151.87 39.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -73.16 -35.83 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -52.56 -22.23 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 58.7 m-85 -108.77 25.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.612 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -157.64 163.49 38.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -132.47 114.39 14.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.833 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.6 m-85 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' A' ' 43' ' ' LEU . 35.8 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 72' ' ' PHE . 21.7 m -128.25 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.25 120.19 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' ' 70' ' ' ALA . 41.7 mm -66.54 111.9 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -139.01 152.73 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 145.6 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.7 t80 -126.26 81.84 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -58.7 118.24 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 134.5 46.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.18 -35.28 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.22 -175.53 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -6.35 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.35 -11.25 22.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -90.86 173.9 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.8 p -145.32 135.07 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 90.8 m -73.93 134.1 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.8 mt -126.98 173.88 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -126.05 166.4 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 10.6 tt0 -65.18 127.04 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 69.63 48.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -109.36 149.65 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 57' ' ' LEU . 48.3 t -102.81 138.96 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 56' ' ' ARG . 43.2 t -139.84 127.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.2 tp -86.72 109.95 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 47' ' ' GLN . 84.2 t -60.18 139.43 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 16.9 mt -120.15 -40.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.77 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.549 ' HG3' HG11 ' A' ' 44' ' ' VAL . 8.7 mt-30 -92.1 117.34 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.8 tt0 -124.87 115.68 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 m-20 -39.37 102.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.11 -48.26 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.556 ' C ' HD22 ' A' ' 52' ' ' LEU . 67.3 m95 -131.26 139.62 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.3 119.37 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 44.3 t80 -90.39 144.19 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.9 -171.34 32.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.743 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tm-20 -126.82 106.76 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.651 ' HA ' HG22 ' A' ' 42' ' ' VAL . 44.9 ttp180 -59.97 91.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.4 mm? -38.94 -44.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HB3' ' HG2' ' A' ' 56' ' ' ARG . 42.3 ttt85 -35.77 -65.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -112.3 23.97 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 41.67 27.48 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -82.74 133.48 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.743 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -108.58 110.1 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -175.07 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.7 m95 -96.5 127.13 42.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.741 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 p90 -131.04 132.75 24.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 146.73 32.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.577 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.98 -35.71 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.11 -26.49 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 26.9 m-85 -107.2 39.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -174.75 156.72 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -127.21 114.62 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.757 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 72' ' ' PHE . 27.5 m -127.62 141.34 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.13 116.07 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' A' ' 70' ' ' ALA . 45.9 mm -63.64 106.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.0 p -60.91 -49.81 75.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -128.05 154.72 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 145.54 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -122.59 86.56 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' HA ' HG23 ' A' ' 35' ' ' THR . 25.0 m-85 -61.28 97.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.34 133.53 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.25 -34.2 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 4.1 mt-30 -93.48 177.83 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -6.06 55.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.71 -22.01 17.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 38.8 mt-10 -83.17 171.62 13.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.8 p -142.92 139.6 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.45 HG23 ' HA ' ' A' ' 27' ' ' PHE . 2.9 m -72.02 136.26 46.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.695 HD23 ' HD3' ' A' ' 56' ' ' ARG . 1.8 mt -131.91 158.59 40.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -110.65 161.38 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 2.2 tt0 -63.13 127.5 31.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.77 47.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.74 153.89 22.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 57' ' ' LEU . 43.9 t -107.1 141.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.4 t -143.85 128.58 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' GLU . 10.9 tp -86.66 109.61 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' A' ' 47' ' ' GLN . 89.7 t -59.54 139.91 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' A' ' 55' ' ' GLU . 15.2 mt -119.17 -40.5 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.17 122.13 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' HG3' HG11 ' A' ' 44' ' ' VAL . 11.6 mt-30 -98.88 115.16 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.7 tt0 -123.22 115.67 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.6 t0 -39.39 102.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.37 -42.14 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 36.6 m95 -141.58 147.55 37.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.74 118.63 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CZ ' HG22 ' A' ' 62' ' ' THR . 49.5 t80 -91.43 142.64 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.15 -171.98 31.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 45' ' ' LEU . 2.0 tt0 -125.17 129.13 49.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.695 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.7 ttp85 -72.23 112.5 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 HG12 ' A' ' 41' ' ' VAL . 3.0 mm? -61.9 -14.42 34.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 3.6 ttt-85 -57.31 -66.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -117.52 -25.69 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 116.04 -0.21 21.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.588 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.2 125.46 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.572 HG22 ' CZ ' ' A' ' 53' ' ' TYR . 2.6 m -108.78 116.24 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -146.46 -174.95 19.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.2 m95 -98.02 120.73 38.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.749 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.2 p90 -123.02 132.52 24.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.92 153.51 42.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.78 -35.74 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -23.25 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.552 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 37.9 m-85 -110.01 29.2 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.617 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -160.71 165.41 30.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -133.3 109.2 9.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.966 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.3 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 43' ' ' LEU . 21.6 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 65' ' ' PHE . 10.2 m -135.54 137.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -92.96 118.6 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 70' ' ' ALA . 43.0 mm -65.5 108.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.617 HG22 ' HE ' ' A' ' 71' ' ' ARG . 31.5 p -64.93 -35.35 80.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -143.36 148.72 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.8 157.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 4.1 t80 -140.95 85.44 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -60.6 111.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 132.86 49.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -29.83 8.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.65 178.22 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -4.98 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.07 -15.03 14.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.514 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 92.7 mt-10 -81.35 161.31 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.15 139.97 46.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 55.4 m -74.04 134.27 42.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD23 ' HD3' ' A' ' 56' ' ' ARG . 5.7 mt -129.56 161.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.74 176.1 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.507 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.4 tm0? -73.17 127.07 31.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 71.76 46.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.79 133.91 53.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.68 139.5 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.2 t -135.66 132.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD12 ' HG3' ' A' ' 19' ' ' GLN . 6.8 tp -86.98 109.95 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG11 ' HG3' ' A' ' 47' ' ' GLN . 78.0 t -60.38 139.32 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.582 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.1 mt -120.91 -40.99 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.71 116.69 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.568 ' HG3' HG11 ' A' ' 44' ' ' VAL . 21.3 mt-30 -93.52 114.12 26.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.9 tt0 -122.02 115.67 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 m-20 -39.42 102.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.65 -45.75 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.56 ' C ' HD22 ' A' ' 52' ' ' LEU . 68.1 m95 -133.94 140.34 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.889 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.89 115.49 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 52.1 t80 -87.66 142.54 27.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -163.93 -170.28 28.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.662 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.16 128.36 43.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.545 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.6 ttp180 -68.98 116.34 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 43' ' ' LEU . 3.0 mm? -66.1 -11.6 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -62.46 -65.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 61' ' ' GLU . 9.5 t70 -113.33 -25.53 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 2.75 28.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' OE1' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -56.78 127.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.662 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.3 m -107.03 115.63 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -174.74 19.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.4 m95 -95.57 137.06 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.6 p90 -141.32 131.96 13.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 149.05 36.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.566 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.35 -36.0 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.93 -24.06 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 51.0 m-85 -110.06 35.97 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -172.04 163.35 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.617 ' HE ' HG22 ' A' ' 23' ' ' THR . 2.5 ptp180 -138.56 129.78 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 20' ' ' VAL . 20.5 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HG3' HD12 ' A' ' 43' ' ' LEU . 25.3 mt-30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.721 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.4 m -137.19 140.24 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -98.39 117.22 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 24' ' ' LYS . 28.2 mm -61.78 118.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.5 p -76.43 -42.47 43.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.83 152.38 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -65.37 121.63 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 35' ' ' THR . 14.6 t80 -94.68 133.97 37.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -106.81 104.21 13.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.99 137.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -114.99 -36.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -98.16 176.42 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.75 -9.48 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -116.11 49.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 76.2 mt-10 -135.56 163.44 30.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 61' ' ' GLU . 6.2 p -134.38 134.38 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 26' ' ' PHE . 78.9 m -80.54 131.51 35.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.666 HD23 ' HD3' ' A' ' 56' ' ' ARG . 2.2 mt -122.56 164.76 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.521 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.2 tm0? -69.86 126.86 30.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 73.01 49.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.2 141.28 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 HD23 ' A' ' 57' ' ' LEU . 50.9 t -95.92 137.68 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 56' ' ' ARG . 42.4 t -139.34 129.54 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 19' ' ' GLN . 33.4 tp -86.86 109.67 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.559 HG11 ' HG3' ' A' ' 47' ' ' GLN . 85.9 t -60.8 135.14 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.581 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 7.1 mt -116.19 -42.35 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.02 111.49 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.559 ' HG3' HG11 ' A' ' 44' ' ' VAL . 8.6 mt-30 -87.34 110.38 20.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 51' ' ' TRP . 3.8 tp10 -117.26 141.59 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.99 102.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -35.01 3.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 66.2 m95 -142.43 140.83 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.78 112.35 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.2 t80 -83.17 141.35 32.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -162.59 -170.52 27.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER -128.39 120.74 27.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.666 ' HD3' HD23 ' A' ' 36' ' ' LEU . 24.6 ttp180 -64.03 115.74 5.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 HG12 ' A' ' 41' ' ' VAL . 3.3 mm? -62.34 -25.65 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -43.2 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -26.44 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 114.32 21.28 5.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.522 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -70.61 124.82 25.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.288 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.581 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -106.4 113.32 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.58 -174.85 19.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.0 m95 -96.49 124.29 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.721 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.6 p90 -129.55 132.56 24.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.0 151.31 39.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.512 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.68 -35.31 70.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -27.22 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 24.4 m-85 -102.25 22.46 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -154.7 170.05 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -137.62 111.76 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.663 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.1 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.559 ' CG ' HD12 ' A' ' 43' ' ' LEU . 62.6 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 72' ' ' PHE . 26.3 m -120.28 140.81 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -96.7 120.3 36.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.656 HD13 ' HB2' ' A' ' 70' ' ' ALA . 24.0 mm -67.23 130.39 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -87.99 -25.71 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.42 144.65 24.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -50.08 138.16 16.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.4 t80 -117.74 84.83 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -56.57 115.89 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 133.98 51.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -34.93 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.63 -173.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.17 -9.23 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -99.1 -14.42 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -84.39 159.28 20.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.5 p -133.06 135.91 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -72.82 132.24 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD23 ' HD3' ' A' ' 56' ' ' ARG . 3.8 mt -126.01 170.54 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -125.08 171.11 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 42.1 tt0 -66.2 128.8 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 67.89 49.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -113.21 131.97 55.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.687 HG12 HD12 ' A' ' 57' ' ' LEU . 85.0 t -92.54 139.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.86 134.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HB2' HD21 ' A' ' 57' ' ' LEU . 7.1 tp -88.25 109.72 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.416 HG11 ' HG3' ' A' ' 47' ' ' GLN . 80.1 t -60.24 139.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.552 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.82 -40.78 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.12 122.38 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' HG3' HG11 ' A' ' 44' ' ' VAL . 1.6 mt-30 -99.58 112.19 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.6 tp10 -119.96 115.5 23.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -38.11 102.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.69 -40.84 1.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 54.7 m95 -141.44 149.26 40.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.78 113.75 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 37.5 t80 -85.37 143.76 28.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.48 -174.54 36.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.1 OUTLIER -129.24 122.3 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.62 ' HD3' HD23 ' A' ' 36' ' ' LEU . 17.0 ttp180 -62.28 117.61 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.687 HD12 HG12 ' A' ' 41' ' ' VAL . 4.1 mt -68.09 -11.2 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -62.72 -64.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.03 -25.65 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.88 9.63 24.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.648 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.3 mt-10 -60.77 125.7 24.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.926 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -109.58 110.28 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.36 -175.2 19.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 84.8 m95 -93.71 127.83 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.761 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 p90 -131.66 132.08 23.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.0 Cg_endo -75.04 152.68 40.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.486 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.36 -35.8 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -21.12 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.8 m-85 -110.62 28.36 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.656 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -161.96 161.92 28.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -131.62 112.88 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.238 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.762 ' HA ' HG12 ' A' ' 20' ' ' VAL . 5.4 m-85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 65' ' ' PHE . 4.3 m -140.84 150.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.93 121.94 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' A' ' 70' ' ' ALA . 32.8 mm -66.21 129.07 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.9 p -89.42 -23.4 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -150.52 148.21 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.34 134.15 53.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.56 85.07 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -59.27 105.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -62.31 133.68 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -107.85 -33.58 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt-30 -89.04 -176.74 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.72 -1.46 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.88 -20.68 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 35.1 mt-10 -80.78 -177.63 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.499 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.6 p -152.52 131.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 95.5 m -66.75 132.7 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.5 mt -128.24 171.84 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -125.44 177.08 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 38.2 tt0 -73.96 127.91 34.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.54 40.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.84 130.14 51.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 t -90.54 135.39 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 56' ' ' ARG . 43.2 t -131.72 131.43 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 8.5 tp -86.48 109.24 18.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 47' ' ' GLN . 94.3 t -61.03 139.12 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.7 mt -120.98 -40.99 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 118.38 11.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.524 ' HG3' HG11 ' A' ' 44' ' ' VAL . 12.4 mt-30 -95.65 115.77 27.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.0 tt0 -125.18 115.6 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 t0 -39.71 103.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.73 -43.09 1.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 39.0 m95 -140.94 145.58 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.36 118.39 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 48.4 t80 -89.69 142.9 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.74 -174.32 35.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.657 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.9 OUTLIER -124.12 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.698 ' HD3' HD23 ' A' ' 36' ' ' LEU . 40.8 ttp180 -60.45 106.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.544 HD13 ' OE2' ' A' ' 55' ' ' GLU . 2.9 mm? -54.66 -24.24 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' A' ' 56' ' ' ARG . 21.2 ttt180 -43.93 -66.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -26.17 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 112.07 17.59 8.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -71.09 128.85 37.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.657 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -107.59 113.26 26.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.34 -175.0 18.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.2 m95 -96.83 118.86 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.9 p90 -122.36 132.65 24.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.05 152.15 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.86 -35.82 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -22.77 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 43.8 m-85 -109.81 31.69 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.68 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -165.75 159.39 16.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 11.1 mtp-105 -127.73 113.07 15.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.565 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.5 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.756 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.5 m -131.54 144.8 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -101.36 116.34 32.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.598 HG13 HD13 ' A' ' 36' ' ' LEU . 9.2 mm -65.07 101.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 15.5 p -56.68 -47.06 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 22.3 pttt -134.92 143.6 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -43.9 154.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.3 t80 -135.7 80.87 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -54.03 106.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.42 133.22 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.73 -34.48 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 34.9 mt-30 -86.54 -178.5 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.86 -2.74 46.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -18.64 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -84.61 165.97 17.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.1 p -139.98 132.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -67.03 129.95 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 HG13 ' A' ' 22' ' ' ILE . 3.3 mt -123.36 159.35 29.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -109.84 162.44 14.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 7.1 tm0? -63.66 126.75 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.53 50.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.06 138.29 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.81 139.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 56' ' ' ARG . 25.5 t -137.99 138.69 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.728 ' HB2' HD21 ' A' ' 57' ' ' LEU . 19.3 tp -90.28 110.08 21.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 91.1 t -62.09 139.06 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.0 mt -120.03 -40.73 2.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.38 133.4 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.646 ' HG2' HD12 ' A' ' 52' ' ' LEU . 9.5 mt-30 -112.44 120.64 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -127.68 115.7 19.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -37.84 102.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.09 -42.64 1.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.718 ' C ' HD22 ' A' ' 52' ' ' LEU . 44.4 m95 -142.22 159.44 42.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.912 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.15 139.77 52.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -110.18 144.38 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.48 -175.28 36.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.593 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tt0 -126.16 114.22 18.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.637 ' HA ' HG22 ' A' ' 42' ' ' VAL . 10.9 ttp180 -56.84 116.22 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -67.32 -14.64 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -57.78 -65.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -25.38 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.47 -3.29 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.04 124.03 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.593 HG23 ' HB2' ' A' ' 55' ' ' GLU . 2.3 m -104.92 113.19 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.41 -175.04 19.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -99.12 119.34 37.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.756 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.7 p90 -114.95 140.39 25.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.96 149.2 36.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.642 ' HG2' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -77.04 -36.11 56.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.86 -31.15 37.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 7.0 m-30 -108.59 33.52 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -150.41 151.0 32.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 15.5 mtm180 -121.94 106.37 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.691 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.8 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 65' ' ' PHE . 8.4 m -128.15 135.02 63.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -94.48 116.18 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.743 HD13 ' HB2' ' A' ' 70' ' ' ALA . 35.8 mm -62.33 131.44 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 76.4 p -88.0 -46.87 8.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -121.37 151.14 40.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 125.26 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 35' ' ' THR . 14.2 t80 -102.6 131.98 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.78 109.33 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -78.81 120.77 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -95.58 -30.18 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 5.0 mt-30 -94.43 158.03 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.35 -6.33 47.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -28.36 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 53.6 mt-10 -76.41 172.17 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.62 HG23 ' HG2' ' A' ' 61' ' ' GLU . 2.1 p -140.15 128.73 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 26' ' ' PHE . 96.3 m -76.39 127.37 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.922 HD22 HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -120.39 177.76 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -133.79 161.06 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.5 tt0 -56.99 123.47 15.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.68 47.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.96 135.13 54.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 57' ' ' LEU . 47.5 t -94.9 138.82 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.922 HG21 HD22 ' A' ' 36' ' ' LEU . 55.7 t -135.88 134.26 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 20.7 tp -86.01 110.66 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 57.7 t -66.81 146.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.607 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 4.5 mt -125.15 -40.62 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.53 121.81 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.511 ' HG2' HD12 ' A' ' 52' ' ' LEU . 8.0 mt-30 -99.01 108.47 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -118.95 118.08 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.09 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.63 -50.7 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.586 ' C ' HD22 ' A' ' 52' ' ' LEU . 52.4 m95 -132.54 142.84 49.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.896 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.68 111.4 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 18.6 t80 -78.59 143.37 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -171.15 179.3 43.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.899 ' HB2' HG23 ' A' ' 62' ' ' THR . 2.0 tm-20 -120.71 117.3 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.864 ' HD3' HD23 ' A' ' 36' ' ' LEU . 28.0 ttp180 -67.26 108.62 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.7 HD13 ' OE2' ' A' ' 55' ' ' GLU . 2.9 mm? -55.33 -27.49 47.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 7.5 ttt180 -41.13 -66.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -112.23 -26.5 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 100.88 30.87 5.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HG2' HG23 ' A' ' 34' ' ' VAL . 4.9 tt0 -92.58 123.39 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.899 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -94.04 116.54 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.32 -174.89 19.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 82.5 m95 -97.94 116.13 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.0 p90 -118.75 132.71 23.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.9 146.92 33.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -66.55 -36.24 82.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -30.42 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 14.4 m-85 -104.56 37.35 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.743 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -170.1 156.42 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mtp-105 -126.29 112.69 16.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.562 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.4 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 72' ' ' PHE . 22.7 m -123.55 140.34 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.21 119.06 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 70' ' ' ALA . 28.1 mm -65.65 118.36 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 p -74.51 -30.81 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 1.8 pttt -148.68 146.2 28.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -45.53 155.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 6.6 t80 -137.94 84.05 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -59.76 105.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.45 142.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -111.72 -33.37 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -109.99 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.18 -8.01 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.01 -12.98 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -85.36 150.91 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.587 HG21 ' HB3' ' A' ' 61' ' ' GLU . 1.6 p -122.91 146.77 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 86.1 m -81.36 129.74 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 22' ' ' ILE . 3.7 mt -124.73 165.26 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.0 177.04 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 16.0 tt0 -72.16 127.57 32.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.03 45.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -110.54 129.85 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.782 HG12 HD12 ' A' ' 57' ' ' LEU . 97.7 t -94.28 128.63 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 56' ' ' ARG . 20.4 t -122.96 138.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HB2' HD21 ' A' ' 57' ' ' LEU . 8.0 tp -86.49 109.4 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' A' ' 47' ' ' GLN . 96.0 t -61.04 140.62 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 55' ' ' GLU . 17.7 mt -120.78 -41.61 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.3 122.38 13.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.502 ' HG3' HG11 ' A' ' 44' ' ' VAL . 11.9 mt-30 -99.55 107.75 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 51' ' ' TRP . 1.3 tt0 -116.2 116.7 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -39.27 103.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.31 -43.6 1.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 56.1 m95 -140.14 145.84 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 113.89 22.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.8 t80 -85.88 143.82 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -161.82 -175.46 32.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.918 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.77 105.0 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.593 ' HA ' HG22 ' A' ' 42' ' ' VAL . 2.5 ttp180 -38.1 145.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 41' ' ' VAL . 12.3 mt -97.19 -11.67 23.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -63.66 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -27.29 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 56' ' ' ARG . . . 120.83 -1.22 12.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -42.58 124.96 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.918 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -112.0 109.65 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 34' ' ' VAL . . . -147.61 -174.99 20.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.9 m95 -95.74 129.47 42.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.732 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.7 p90 -130.96 131.65 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 153.39 41.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.33 -35.63 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.99 -21.52 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.0 m-85 -111.11 27.54 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -159.34 158.25 31.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -128.15 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.786 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.5 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.1 m -121.22 136.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.62 117.32 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.702 ' CD1' HD13 ' A' ' 36' ' ' LEU . 21.7 mm -64.57 130.27 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -87.67 -41.97 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.73 153.43 45.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.85 21.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' A' ' 36' ' ' LEU . 22.5 t80 -103.43 117.22 33.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -85.85 110.89 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -72.07 124.51 25.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -104.11 -30.27 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 mt-30 -84.01 174.97 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.82 -0.28 57.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.5 OUTLIER -111.53 -17.29 13.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.488 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 43.1 mt-10 -73.13 164.06 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 61' ' ' GLU . 2.6 p -134.64 129.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.497 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 2.0 m -71.87 130.99 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.892 HD23 ' HD3' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -124.89 174.4 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -133.81 161.84 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.6 tt0 -58.5 123.54 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 73.44 47.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.29 139.7 49.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.01 138.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 36' ' ' LEU . 42.6 t -135.82 135.06 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.572 ' HB2' HD21 ' A' ' 57' ' ' LEU . 29.6 tp -85.77 110.18 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.639 HG11 ' HG3' ' A' ' 47' ' ' GLN . 72.6 t -65.13 139.55 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.627 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 5.8 mt -121.68 -41.33 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 111.91 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.639 ' HG3' HG11 ' A' ' 44' ' ' VAL . 9.6 mt-30 -89.08 112.28 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.7 tt0 -120.04 130.96 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.64 -39.53 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.574 ' C ' HD22 ' A' ' 52' ' ' LEU . 66.6 m95 -140.77 135.62 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.883 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.78 115.85 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -82.87 145.4 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -172.52 -174.58 39.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.804 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.8 OUTLIER -125.84 123.26 38.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.892 ' HD3' HD23 ' A' ' 36' ' ' LEU . 19.4 ttp180 -71.58 106.53 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.608 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.7 mm? -54.94 -19.31 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 1.8 ttt85 -51.48 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.71 -26.19 9.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 99.31 26.94 8.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 34' ' ' VAL . 2.1 tt0 -91.1 119.37 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.804 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -89.47 118.87 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.7 -174.64 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.496 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 81.1 m95 -97.35 129.89 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.4 p90 -135.96 132.06 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -74.99 150.54 38.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.579 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.36 -35.5 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -30.33 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 9.5 m-85 -101.56 26.28 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -155.97 163.97 39.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -133.38 107.73 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.645 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' ' 72' ' ' PHE . 35.1 m -119.74 137.68 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.85 118.21 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' A' ' 70' ' ' ALA . 35.3 mm -62.85 125.45 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.6 p -83.19 -30.48 27.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -145.46 151.39 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -58.09 137.83 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 11.3 t80 -118.13 84.42 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -59.75 108.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -60.09 131.82 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.38 -33.61 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.6 mm-40 -96.55 -173.71 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.62 -5.76 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.52 -13.1 19.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -91.08 173.43 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.8 p -144.41 139.06 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.3 m -71.99 134.68 46.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.2 mt -131.44 164.46 25.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -118.8 173.57 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 35.3 tt0 -71.44 126.97 31.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.7 48.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -111.5 134.99 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 HD12 ' A' ' 57' ' ' LEU . 87.1 t -94.32 137.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 56' ' ' ARG . 51.8 t -137.09 135.02 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 24.2 tp -87.58 109.7 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 91.7 t -61.74 139.83 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.0 mt -118.67 -40.47 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 123.12 14.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.499 ' HG3' HG11 ' A' ' 44' ' ' VAL . 13.9 mt-30 -101.13 113.79 27.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.2 tp10 -120.65 116.19 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -38.94 102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.95 -48.68 0.96 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.592 ' C ' HD22 ' A' ' 52' ' ' LEU . 41.4 m95 -134.94 148.44 50.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.897 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.75 130.01 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.7 t80 -103.51 143.46 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.84 -172.97 34.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.834 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tm-20 -127.97 108.28 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.67 ' HA ' HG22 ' A' ' 42' ' ' VAL . 34.3 ttp180 -55.37 117.4 3.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD12 HG12 ' A' ' 41' ' ' VAL . 3.8 mt -66.15 -21.53 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -45.51 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.08 -14.74 10.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 97.98 24.86 11.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.614 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -76.34 131.04 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -110.66 110.64 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.438 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.67 -175.19 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 73.3 m95 -97.44 115.96 28.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.718 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.2 p90 -117.66 132.88 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.97 154.52 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -76.41 -35.03 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -20.3 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 46.3 m-85 -108.81 17.73 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.567 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -150.82 170.9 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 11.8 mtp-105 -138.56 112.21 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.921 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.4 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.33 78.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t 63.06 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.98 -175.9 47.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.5 161.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -159.65 85.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.2 -147.52 6.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -81.57 152.0 27.43 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -55.65 -49.7 72.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.91 -66.79 0.2 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 mt 61.24 83.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.64 152.75 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -102.78 120.98 41.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.95 162.03 5.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.74 -84.29 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -121.91 29.97 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' HB2' HD11 ' A' ' 43' ' ' LEU . 15.7 mt -51.32 158.26 1.41 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 141.71 27.19 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -127.55 141.02 51.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 65' ' ' PHE . 24.8 m -129.27 140.75 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' ASP . 44.8 tt0 -95.06 117.65 30.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.708 HD13 ' HB2' ' A' ' 70' ' ' ALA . 24.2 mm -64.99 110.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 73.4 p -65.92 -38.42 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 3.9 pttp -139.28 150.25 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -49.67 149.14 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.2 t80 -129.95 82.3 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.76 119.08 6.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.65 131.55 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.81 -34.99 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 7.6 mt-30 -86.6 -174.75 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.99 -6.15 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.14 -26.68 12.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -72.81 144.01 47.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.54 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 3.5 p -115.81 144.2 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 88.7 m -80.37 129.47 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' HD3' ' A' ' 56' ' ' ARG . 1.9 mt -124.84 159.83 30.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -111.63 177.25 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 12.7 tt0 -75.58 126.23 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.08 48.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 5.9 m-20 -104.79 177.68 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 57' ' ' LEU . 35.1 t -131.03 133.61 62.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG21 HD22 ' A' ' 36' ' ' LEU . 64.0 t -137.63 130.33 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.8 tp -86.76 109.61 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' A' ' 47' ' ' GLN . 87.2 t -58.58 139.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 14.0 mt -121.98 -41.22 2.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.34 118.59 12.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' HG3' HG11 ' A' ' 44' ' ' VAL . 10.5 mt-30 -95.35 113.15 24.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.0 tt0 -120.23 115.3 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLU . 4.9 m-20 -38.67 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.57 -44.78 1.22 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 58.2 m95 -135.15 143.74 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.897 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.01 116.15 27.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -87.66 142.67 27.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.36 -172.57 31.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.823 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.3 OUTLIER -130.0 118.16 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.748 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.3 ttp180 -60.73 117.14 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -65.68 -18.64 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 13.3 ttt-85 -52.3 -65.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -114.03 -26.02 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 8.86 23.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -61.24 127.85 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.823 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.8 OUTLIER -107.93 113.33 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.447 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.54 -174.58 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -95.57 132.45 40.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.5 p90 -136.46 130.78 18.18 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.06 153.52 41.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.81 -35.55 64.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -22.62 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.9 m-85 -107.13 24.3 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.708 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -158.23 168.95 25.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -136.77 111.37 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.755 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.7 m-85 -52.98 106.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -62.96 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.13 122.99 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.06 -71.97 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 62.03 5.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 m -50.06 170.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.01 -58.38 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -86.61 152.21 22.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -162.2 158.56 24.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.91 141.73 3.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.71 171.32 3.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m 68.15 153.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.53 154.65 31.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -82.75 112.02 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -122.9 102.99 8.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.45 125.04 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.01 62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.53 167.33 8.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.057 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -103.84 146.24 28.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -129.33 106.19 8.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.59 -45.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -18.31 14.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 17' ' ' LEU . 27.3 mt -57.47 160.91 6.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.66 42.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -140.58 144.83 36.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG21 ' CE1' ' A' ' 65' ' ' PHE . 18.3 m -132.75 141.62 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -97.74 118.23 33.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.714 HD13 ' HB2' ' A' ' 70' ' ' ALA . 40.2 mm -65.4 112.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.4 p -69.72 -34.87 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' O ' HG22 ' A' ' 22' ' ' ILE . 11.5 pttt -142.22 151.14 41.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.21 147.84 9.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.1 t80 -127.99 80.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -56.48 114.05 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -73.09 137.16 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.5 -34.54 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.7 mt-30 -94.22 178.24 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.41 -7.3 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.63 -19.73 19.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 25.4 mt-10 -85.29 172.09 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.75 138.68 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.0 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD23 ' HD3' ' A' ' 56' ' ' ARG . 2.5 mt -130.48 166.65 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -119.27 166.4 13.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 23.4 tt0 -65.63 127.13 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.62 46.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -109.06 148.84 30.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.582 HG12 HD23 ' A' ' 57' ' ' LEU . 63.9 t -103.91 140.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.6 t -139.64 129.74 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HB2' HD21 ' A' ' 57' ' ' LEU . 29.8 tp -86.8 109.82 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.162 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.57 HG11 ' HG3' ' A' ' 47' ' ' GLN . 82.7 t -60.43 139.83 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.0 mt -120.0 -40.54 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.3 120.54 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' A' ' 44' ' ' VAL . 33.9 mt-30 -97.89 113.3 25.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tp10 -120.93 115.3 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -38.86 103.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.81 -41.38 1.6 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.576 ' C ' HD22 ' A' ' 52' ' ' LEU . 51.9 m95 -141.61 147.78 38.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 119.63 35.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 39.7 t80 -91.73 143.44 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.16 -173.5 35.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.3 tm-20 -127.41 129.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.683 ' HD3' HD23 ' A' ' 36' ' ' LEU . 9.6 ttp180 -69.3 117.27 10.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD23 HG12 ' A' ' 41' ' ' VAL . 3.0 mm? -66.58 -11.57 53.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -62.61 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.43 -25.63 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.09 8.09 26.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.31 126.84 29.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -107.97 113.37 26.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -176.05 19.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 80.2 m95 -94.84 129.54 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.9 p90 -133.06 132.26 22.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.02 152.88 41.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.447 1.762 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.524 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.73 -35.53 67.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -24.86 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 44.2 m-85 -107.49 32.89 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -167.56 163.77 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -134.0 113.46 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.688 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.7 m-85 -53.19 105.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mt -59.34 -66.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.73 109.18 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.8 -154.13 11.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 111.65 3.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -167.54 103.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 157.78 27.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.42 127.72 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.69 161.64 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.59 93.59 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -167.9 90.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.67 131.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.84 -106.81 1.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -151.56 88.83 1.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -85.84 135.65 33.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.98 129.66 51.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.88 79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.71 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -53.22 157.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.12 152.52 11.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 40.68 73.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.26 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 44' ' ' VAL . 25.4 mt -112.15 160.74 28.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 157.86 42.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.564 ' HG2' HD12 ' A' ' 43' ' ' LEU . 22.4 mt-30 -137.46 140.82 41.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.759 HG21 ' CE1' ' A' ' 65' ' ' PHE . 15.7 m -131.57 142.31 43.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.67 120.64 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 9.9 mm -63.52 127.46 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.9 p -87.86 -21.17 25.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -152.29 145.92 24.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -55.17 129.77 39.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB3' HD12 ' A' ' 36' ' ' LEU . 10.0 t80 -111.42 90.7 3.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -63.78 98.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -43.12 134.63 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -34.61 6.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mt-30 -93.75 -174.66 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.71 -8.78 39.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -22.08 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -74.28 174.79 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' C ' ' HB2' ' A' ' 28' ' ' ALA . 2.5 p -148.14 138.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 68.6 m -68.52 133.39 48.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 56' ' ' ARG . 3.7 mt -130.95 167.49 18.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -122.62 176.66 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 37.8 tt0 -73.29 125.29 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.81 46.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -110.75 130.04 55.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.9 t -88.8 139.28 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -137.93 131.43 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.575 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.6 tp -86.73 109.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' HD13 ' A' ' 17' ' ' LEU . 89.0 t -60.34 139.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.36 -40.56 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.58 122.98 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -100.52 113.34 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -120.67 114.81 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 t70 -38.82 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.55 -40.73 1.7 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 53.0 m95 -142.15 147.71 37.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.91 122.52 43.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 49.7 t80 -95.12 143.68 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.54 -171.69 32.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.724 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.0 OUTLIER -127.27 130.06 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.8 ttp180 -70.89 114.5 9.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -65.58 -11.69 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -61.53 -65.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -112.63 -25.54 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.06 5.15 29.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 129.5 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.724 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.3 m -108.15 114.8 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.64 -174.58 18.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.0 m95 -95.93 138.17 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.3 p90 -141.86 132.13 12.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 154.25 42.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.74 -34.95 62.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.57 -22.76 5.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 41.3 m-85 -108.64 18.81 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.93 165.77 29.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -136.49 110.88 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.604 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.3 m-85 -56.1 103.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.2 mt -56.27 -56.01 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.77 118.81 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.48 -85.96 0.06 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 t -123.82 118.85 28.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 p -113.59 -32.36 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.47 119.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.33 164.65 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.19 -151.43 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -176.87 114.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.74 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.43 -58.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.87 87.04 1.92 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 34.8 m95 65.18 115.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -103.69 155.47 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.08 86.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.98 -58.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.799 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.18 172.51 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m 69.38 -66.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 146.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.62 -102.4 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -124.24 68.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 17' ' ' LEU . 25.0 mt -72.39 160.85 81.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 143.24 28.84 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -125.42 150.15 47.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.798 HG21 ' CE1' ' A' ' 65' ' ' PHE . 15.5 m -137.41 143.18 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -102.22 119.91 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.569 HG13 HD13 ' A' ' 36' ' ' LEU . 14.9 mm -64.64 123.93 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 p -80.73 -26.1 37.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.1 pttt -151.09 148.23 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.95 138.25 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.6 t80 -122.34 86.92 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.73 114.1 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -59.73 131.95 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.79 -35.29 7.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.5 mm-40 -93.05 -177.44 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.06 -7.25 49.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.66 -21.51 14.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -69.76 -176.45 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.7 p -157.98 131.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.407 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 92.4 m -67.57 133.42 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.7 mt -128.91 171.27 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -125.13 177.03 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 43.0 tt0 -72.78 125.69 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.65 48.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.39 131.28 55.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.7 t -87.03 141.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 56' ' ' ARG . 41.9 t -138.81 129.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.565 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.9 tp -87.59 109.48 19.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 47' ' ' GLN . 83.2 t -60.87 137.53 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.4 mt -119.41 -41.14 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.29 119.06 12.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG3' HG11 ' A' ' 44' ' ' VAL . 9.9 mt-30 -95.84 113.29 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 5.8 tt0 -120.04 113.99 21.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.4 m-20 -38.35 102.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.97 -39.32 2.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.588 ' C ' HD22 ' A' ' 52' ' ' LEU . 55.9 m95 -140.66 145.45 36.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.43 115.83 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -88.37 143.92 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.35 -171.15 33.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.716 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.6 tt0 -127.17 119.59 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.611 ' HD3' HD23 ' A' ' 36' ' ' LEU . 42.0 ttp180 -66.5 101.6 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.63 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.5 mm? -52.21 -21.66 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -47.26 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.2 -25.54 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.49 11.01 22.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -68.71 125.94 28.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.347 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.2 m -104.7 113.1 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.14 -174.96 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -95.28 132.32 40.41 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.798 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.1 p90 -136.12 132.04 19.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.98 153.16 41.67 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.66 -35.02 65.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -22.4 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 45.3 m-85 -109.12 20.36 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.3 168.35 25.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.37 109.96 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.639 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.2 m-85 -52.86 103.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.85 -54.94 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.05 132.39 20.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.66 -68.38 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.01 21.36 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -147.43 -60.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.9 p -87.12 132.05 33.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 p -169.92 149.0 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -153.04 -60.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 -137.47 4.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -160.42 150.32 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -105.3 165.79 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.13 155.5 4.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.19 93.45 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -70.34 103.49 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.88 -61.42 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.81 83.64 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.76 119.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -64.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? 66.35 177.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.88 153.18 7.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 40.45 72.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 17' ' ' LEU . 22.1 mt -110.76 161.02 26.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.7 16.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG2' HD12 ' A' ' 43' ' ' LEU . 68.5 mt-30 -119.09 143.31 47.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 65' ' ' PHE . 16.9 m -131.9 139.45 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.42 118.5 33.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.741 HD13 ' HB2' ' A' ' 70' ' ' ALA . 41.8 mm -64.25 108.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.4 p -64.82 -37.6 88.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -140.06 150.92 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.28 158.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 6.3 t80 -143.29 80.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -63.53 102.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -57.16 141.11 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.2 -33.47 7.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.2 mm-40 -93.58 -173.76 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.84 -6.07 33.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.27 -20.75 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.622 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 10.0 mt-10 -86.52 175.0 8.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' OE1' ' A' ' 61' ' ' GLU . 3.2 p -144.76 144.44 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 m -75.99 136.98 39.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.1 mt -133.46 158.84 42.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -113.72 165.63 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 17.7 tt0 -63.52 127.64 32.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.45 49.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.82 139.66 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 57' ' ' LEU . 56.2 t -93.81 144.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -143.54 128.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' HD21 ' A' ' 57' ' ' LEU . 14.5 tp -86.76 109.85 19.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 97.6 t -61.41 139.06 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.4 mt -118.9 -40.07 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 117.99 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.539 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.3 117.35 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.9 tp10 -124.47 114.92 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' GLU . 12.6 m-20 -38.89 102.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.74 -44.99 1.22 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' C ' HD22 ' A' ' 52' ' ' LEU . 68.8 m95 -134.8 139.02 44.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.88 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.74 118.74 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -88.64 144.21 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.98 -173.69 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.45 131.48 50.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HD3' HD23 ' A' ' 36' ' ' LEU . 10.9 ttp180 -71.8 116.09 11.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.8 mm? -66.39 -11.46 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -63.23 -65.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.2 -25.71 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.8 4.31 28.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.672 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -57.94 125.9 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.651 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.8 m -107.65 115.14 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.53 -174.81 18.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -96.68 131.03 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.724 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.0 p90 -134.82 132.97 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.05 149.14 36.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.587 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.74 -36.09 79.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.8 -26.3 3.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 36.8 m-85 -108.89 42.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.741 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -179.66 161.47 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 9.5 ptm180 -133.91 133.83 41.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.461 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.2 m-85 -72.44 99.46 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.9 mt -55.21 -68.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.04 106.54 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.47 -156.72 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.66 12.41 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 p -132.03 154.47 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.2 m -130.14 133.25 46.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -161.55 157.7 25.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 110.006 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -162.14 147.09 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.13 128.24 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.61 140.53 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -162.51 147.7 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 110.027 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.63 -139.77 2.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -87.18 94.36 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.26 -57.3 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -67.98 1.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.0 101.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.57 81.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -61.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.72 146.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.71 -116.58 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.04 46.01 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.73 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 44' ' ' VAL . 14.3 mt -52.16 157.29 2.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.4 27.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -128.07 147.25 50.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.902 HG12 ' HA ' ' A' ' 72' ' ' PHE . 27.5 m -136.56 140.98 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -94.66 119.61 33.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.659 HD13 ' HB2' ' A' ' 70' ' ' ALA . 18.6 mm -67.2 107.17 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 38.9 p -60.67 -52.79 63.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.558 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -121.82 153.96 37.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -59.99 133.18 55.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 35' ' ' THR . 9.2 t80 -106.86 142.7 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -112.41 116.03 29.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.82 131.36 45.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.59 -34.4 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -97.82 -173.41 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.41 -6.83 49.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -100.55 -20.12 15.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 49.9 mt-10 -78.08 160.66 27.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -137.93 136.61 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 87.8 m -76.7 133.2 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.581 HD13 ' CD1' ' A' ' 22' ' ' ILE . 2.8 mt -127.04 159.04 35.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.0 173.7 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.6 tm0? -71.24 130.53 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.36 48.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 150.47 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -105.08 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.88 129.7 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HB2' HD21 ' A' ' 57' ' ' LEU . 6.6 tp -86.68 109.82 19.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.536 HG11 ' HG3' ' A' ' 47' ' ' GLN . 98.6 t -59.64 139.81 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 12.8 mt -120.88 -40.73 2.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.35 119.02 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.536 ' HG3' HG11 ' A' ' 44' ' ' VAL . 13.0 mt-30 -97.01 113.64 25.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.7 tt0 -122.28 116.2 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.6 t0 -39.43 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.38 -41.62 1.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' C ' HD22 ' A' ' 52' ' ' LEU . 36.8 m95 -142.09 148.53 38.53 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.899 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.89 116.99 28.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -89.25 143.84 26.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.69 -173.57 37.3 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.6 ' OE1' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -124.48 129.78 51.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' GLY . 31.1 ttp180 -75.52 96.94 3.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.67 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.8 mm? -45.7 -26.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ttt-85 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -115.57 -25.69 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.72 4.87 22.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -59.73 129.26 41.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.543 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 2.0 m -113.74 114.42 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.43 -174.68 18.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 75.5 m95 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.3 p90 -121.92 131.8 24.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.1 Cg_endo -74.97 154.53 42.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.13 -35.14 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -21.75 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 32.2 m-85 -108.13 21.72 16.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.659 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -155.77 170.77 21.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.54 111.51 7.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.902 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.0 m-85 -52.79 100.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.18 -63.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.7 p -129.87 128.96 43.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.19 -167.25 12.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.49 24.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.36 153.92 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.73 147.07 37.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.3 86.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.781 . . . . 0.0 110.02 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.74 150.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.01 -120.66 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -164.36 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.755 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -125.19 -58.83 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.03 125.97 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.71 148.15 48.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.604 ' C ' HD23 ' A' ' 11' ' ' LEU . 6.7 tt0 -152.87 146.41 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.513 ' N ' HD23 ' A' ' 11' ' ' LEU . . . 78.27 55.71 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD23 ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -136.85 64.58 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 0.736 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.85 156.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 m -76.83 125.16 28.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -175.85 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.01 -110.24 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -122.65 70.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LEU . 18.2 mt -70.64 161.52 76.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 165.02 32.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -145.48 143.53 30.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.647 HG21 ' CE1' ' A' ' 65' ' ' PHE . 2.6 m -134.93 146.79 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -108.52 115.33 29.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG13 HD13 ' A' ' 36' ' ' LEU . 6.6 mm -55.58 133.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.2 p -93.61 -40.28 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -134.1 150.49 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.96 133.06 38.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.0 t80 -116.33 82.16 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -60.95 113.7 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -68.63 138.81 55.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.59 -30.15 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 14.0 mt-30 -98.83 -175.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.3 -7.14 39.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.25 -26.08 16.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 9.0 mt-10 -79.08 178.91 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' A' ' 61' ' ' GLU . 3.3 p -150.73 134.73 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -69.16 133.77 48.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD23 ' HD3' ' A' ' 56' ' ' ARG . 6.8 mt -131.24 167.19 19.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -121.34 174.56 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.548 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.3 tm0? -73.07 124.18 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 75.36 47.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.57 125.02 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -83.33 135.89 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -135.72 132.23 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' HB2' HD21 ' A' ' 57' ' ' LEU . 7.1 tp -86.97 109.75 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 96.4 t -62.47 139.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.4 mt -117.83 -40.34 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.27 126.52 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.458 ' HG2' HD12 ' A' ' 52' ' ' LEU . 6.4 mt-30 -101.98 112.87 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.9 tt0 -120.7 113.65 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -38.63 102.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.81 -40.73 1.73 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.588 ' C ' HD22 ' A' ' 52' ' ' LEU . 55.2 m95 -142.06 144.97 33.83 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.901 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.82 122.74 44.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 32.4 t80 -93.58 143.06 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.23 -175.15 37.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.61 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.1 tm-20 -124.86 132.29 53.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLY . 13.7 ttp180 -72.55 115.13 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 43' ' ' LEU . 3.0 mm? -65.54 -11.61 45.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.88 -65.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -114.23 -25.85 8.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.32 10.77 21.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -63.81 122.42 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.61 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.7 m -104.33 115.07 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.31 -174.8 18.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.4 m95 -97.4 123.35 41.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.647 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.8 p90 -126.45 132.68 24.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 154.58 42.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.96 -35.65 62.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -22.56 2.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 35.6 m-85 -110.81 27.37 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.562 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -161.1 166.4 28.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -137.49 133.9 35.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -75.14 98.83 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -50.11 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -150.0 102.81 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.64 -167.68 32.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 73.97 4.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.24 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.85 161.54 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.29 164.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 62.84 133.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.88 -74.42 0.93 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.48 151.92 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 0.8 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.48 128.04 19.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.76 78.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 61.39 46.23 7.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 62.11 77.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.67 87.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 tp -145.81 107.48 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.6 p -142.94 167.46 22.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -88.96 -58.49 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 77.13 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.06 171.13 17.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.57 75.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 44' ' ' VAL . 23.9 mt -111.09 160.88 27.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.11 42.9 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.5 ' HG3' HD12 ' A' ' 43' ' ' LEU . 32.1 mt-30 -136.81 147.41 46.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.731 HG21 ' CE1' ' A' ' 65' ' ' PHE . 13.2 m -138.04 140.82 39.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -101.09 118.3 36.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 8.5 mm -61.35 130.94 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -91.94 -23.12 19.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -148.09 147.89 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . . . -58.41 130.9 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 10.7 t80 -113.4 85.54 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -63.68 98.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -54.38 141.57 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.36 -29.91 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 6.1 mm100 -96.35 -176.37 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.01 -6.66 41.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.66 -25.94 17.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 18.8 mt-10 -81.95 175.14 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.505 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.4 p -144.87 136.21 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.448 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 45.0 m -67.54 133.2 49.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD13 HG13 ' A' ' 22' ' ' ILE . 5.3 mt -130.53 168.43 17.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.549 ' OE1' ' HB2' ' A' ' 25' ' ' ALA . 63.9 mm-40 -126.87 176.58 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 53.6 tt0 -71.87 125.06 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.44 48.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.96 126.24 54.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 57' ' ' LEU . 40.5 t -83.59 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 56' ' ' ARG . 46.5 t -138.86 129.86 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 39.1 tp -87.69 109.8 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 88.9 t -61.66 139.5 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 21.9 mt -119.75 -40.42 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 122.4 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.473 ' HG3' HG11 ' A' ' 44' ' ' VAL . 7.2 mt-30 -99.26 117.77 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.1 tt0 -124.56 114.45 19.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -39.03 102.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.99 -41.73 1.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.598 ' C ' HD22 ' A' ' 52' ' ' LEU . 28.6 m95 -141.95 148.36 38.5 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.4 128.69 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.6 t80 -100.29 143.64 30.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -169.31 -175.03 38.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.757 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.9 OUTLIER -122.85 126.05 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 39.8 ttp180 -71.14 96.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.6 mm? -45.76 -25.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 56' ' ' ARG . 10.4 ttt180 -43.59 -65.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -115.29 -25.64 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 111.42 10.55 19.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.505 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -65.91 128.01 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.757 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -108.35 113.49 26.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.97 -174.9 18.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 74.0 m95 -97.64 122.4 40.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.8 p90 -124.23 133.53 24.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.98 153.72 42.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.518 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.47 -34.7 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -21.59 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 59.4 m-85 -108.88 20.29 18.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.02 168.58 24.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -139.38 110.85 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.655 ' HA ' HG12 ' A' ' 20' ' ' VAL . 6.6 m-85 -52.97 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.6 -53.27 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.83 135.13 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.84 -148.68 8.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.6 42.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.769 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.3 t -116.81 112.01 20.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 p -54.28 -59.83 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 58.68 113.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.22 165.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.58 89.16 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -155.05 119.43 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -162.31 -58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.55 164.12 12.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -116.35 -64.32 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.04 74.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.1 101.59 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -61.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.3 169.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.23 168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 62.05 141.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.54 -96.97 1.79 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 17.4 m-20 -124.51 50.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -39.8 150.09 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -172.55 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -149.88 146.14 26.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.833 HG12 ' HA ' ' A' ' 72' ' ' PHE . 22.1 m -136.36 140.94 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.54 123.81 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 70' ' ' ALA . 20.7 mm -68.33 119.67 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -76.23 -30.88 58.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -147.26 151.74 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.48 140.89 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.2 t80 -120.51 81.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -56.03 111.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -68.88 137.25 53.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.76 -34.36 6.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -94.9 -179.31 4.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.03 -6.76 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.51 -22.17 17.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -84.94 173.74 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.7 p -144.14 139.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 m -75.6 132.21 40.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.9 mt -127.67 167.19 16.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -119.96 174.83 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 18.0 tt0 -70.92 128.25 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . 68.22 45.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.65 133.09 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -90.62 140.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.3 t -137.94 130.9 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.53 ' HB2' HD21 ' A' ' 57' ' ' LEU . 40.6 tp -86.52 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG11 ' HG3' ' A' ' 47' ' ' GLN . 88.3 t -61.04 146.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.0 mt -128.14 -42.37 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -140.36 119.0 12.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' HG3' HG11 ' A' ' 44' ' ' VAL . 10.4 mt-30 -96.66 116.84 29.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.0 tt0 -124.16 113.5 18.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -37.86 102.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.25 -41.16 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.595 ' C ' HD22 ' A' ' 52' ' ' LEU . 46.0 m95 -142.2 148.17 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.14 125.01 47.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.2 t80 -95.7 142.55 27.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -165.98 -175.43 36.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.5 tt0 -126.56 124.68 40.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.584 ' HD3' HD23 ' A' ' 36' ' ' LEU . 14.9 ttp180 -64.67 116.54 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.8 mm? -65.82 -11.51 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -62.69 -65.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -113.99 -25.7 8.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.78 11.83 20.07 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -64.11 124.31 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.1 m -106.39 114.63 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.37 -175.0 19.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.3 m95 -96.75 116.86 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.743 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.1 p90 -119.26 133.4 23.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.07 151.87 39.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -73.16 -35.83 66.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -52.56 -22.23 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.571 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 58.7 m-85 -108.77 25.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.612 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -157.64 163.49 38.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -132.47 114.39 14.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.833 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.6 m-85 -58.0 99.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.3 mt -54.54 -52.86 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.37 146.57 27.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.31 -151.89 6.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.38 42.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.4 157.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -58.43 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m 57.23 167.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.97 94.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 -91.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 m -149.88 -58.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -150.34 122.74 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.33 59.93 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.3 -67.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 65.56 161.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.16 -124.98 11.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.439 1.087 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mt 58.99 74.55 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t -59.21 130.01 44.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.9 p -151.98 103.31 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.832 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -64.83 149.19 49.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.27 149.4 37.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 40.68 72.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 14' ' ' LYS . 17.6 mt -101.35 161.94 22.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.94 19.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' A' ' 43' ' ' LEU . 35.8 mt-30 -122.13 139.28 53.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 72' ' ' PHE . 21.7 m -128.25 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.25 120.19 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' ' 70' ' ' ALA . 41.7 mm -66.54 111.9 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.531 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -139.01 152.73 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.27 145.6 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 5.7 t80 -126.26 81.84 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -58.7 118.24 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 134.5 46.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -106.18 -35.28 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.22 -175.53 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -6.35 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.35 -11.25 22.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -90.86 173.9 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.8 p -145.32 135.07 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 90.8 m -73.93 134.1 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.46 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.8 mt -126.98 173.88 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -126.05 166.4 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 10.6 tt0 -65.18 127.04 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 69.63 48.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -109.36 149.65 29.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 57' ' ' LEU . 48.3 t -102.81 138.96 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 56' ' ' ARG . 43.2 t -139.84 127.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 6.2 tp -86.72 109.95 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG11 ' HG3' ' A' ' 47' ' ' GLN . 84.2 t -60.18 139.43 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 16.9 mt -120.15 -40.79 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.77 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.549 ' HG3' HG11 ' A' ' 44' ' ' VAL . 8.7 mt-30 -92.1 117.34 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 51' ' ' TRP . 4.8 tt0 -124.87 115.68 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 1.3 m-20 -39.37 102.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.11 -48.26 0.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.556 ' C ' HD22 ' A' ' 52' ' ' LEU . 67.3 m95 -131.26 139.62 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.3 119.37 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 44.3 t80 -90.39 144.19 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.9 -171.34 32.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.743 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tm-20 -126.82 106.76 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.651 ' HA ' HG22 ' A' ' 42' ' ' VAL . 44.9 ttp180 -59.97 91.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 57' ' ' LEU . 1.4 mm? -38.94 -44.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HB3' ' HG2' ' A' ' 56' ' ' ARG . 42.3 ttt85 -35.77 -65.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -112.3 23.97 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 41.67 27.48 0.33 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -82.74 133.48 35.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.743 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -108.58 110.1 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.32 -175.07 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.7 m95 -96.5 127.13 42.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.741 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 p90 -131.04 132.75 24.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 146.73 32.91 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.577 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.98 -35.71 81.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -50.11 -26.49 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 26.9 m-85 -107.2 39.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -174.75 156.72 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -127.21 114.62 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.757 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.5 m-85 -53.39 103.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.99 -62.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.15 94.17 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.96 -144.17 4.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 115.39 4.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.3 m -138.86 139.38 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -119.23 94.03 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -137.39 166.42 23.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -98.43 167.51 10.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.35 -142.03 3.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -116.39 154.45 30.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.29 164.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.18 106.07 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -115.87 -63.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 64.03 84.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.42 100.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.31 105.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.88 82.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.8 137.11 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 166.45 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.14 -76.17 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -144.28 31.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 44' ' ' VAL . 32.7 mt -49.67 161.43 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.77 32.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -126.43 142.62 51.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 72' ' ' PHE . 27.5 m -127.62 141.34 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.13 116.07 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' A' ' 70' ' ' ALA . 45.9 mm -63.64 106.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.0 p -60.91 -49.81 75.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -128.05 154.72 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 145.54 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -122.59 86.56 2.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' HA ' HG23 ' A' ' 35' ' ' THR . 25.0 m-85 -61.28 97.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.34 133.53 45.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -108.25 -34.2 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 4.1 mt-30 -93.48 177.83 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -6.06 55.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.71 -22.01 17.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 38.8 mt-10 -83.17 171.62 13.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.8 p -142.92 139.6 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.45 HG23 ' HA ' ' A' ' 27' ' ' PHE . 2.9 m -72.02 136.26 46.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.695 HD23 ' HD3' ' A' ' 56' ' ' ARG . 1.8 mt -131.91 158.59 40.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -110.65 161.38 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 2.2 tt0 -63.13 127.5 31.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.77 47.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.74 153.89 22.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG12 HD23 ' A' ' 57' ' ' LEU . 43.9 t -107.1 141.47 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.4 t -143.85 128.58 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 55' ' ' GLU . 10.9 tp -86.66 109.61 19.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' A' ' 47' ' ' GLN . 89.7 t -59.54 139.91 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' A' ' 55' ' ' GLU . 15.2 mt -119.17 -40.5 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.17 122.13 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' HG3' HG11 ' A' ' 44' ' ' VAL . 11.6 mt-30 -98.88 115.16 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.7 tt0 -123.22 115.67 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 3.6 t0 -39.39 102.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.37 -42.14 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 36.6 m95 -141.58 147.55 37.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.74 118.63 32.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CZ ' HG22 ' A' ' 62' ' ' THR . 49.5 t80 -91.43 142.64 27.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -164.15 -171.98 31.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 45' ' ' LEU . 2.0 tt0 -125.17 129.13 49.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.695 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.7 ttp85 -72.23 112.5 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 HG12 ' A' ' 41' ' ' VAL . 3.0 mm? -61.9 -14.42 34.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 3.6 ttt-85 -57.31 -66.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -117.52 -25.69 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 116.04 -0.21 21.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.588 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.2 125.46 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.572 HG22 ' CZ ' ' A' ' 53' ' ' TYR . 2.6 m -108.78 116.24 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -146.46 -174.95 19.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.2 m95 -98.02 120.73 38.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.749 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.2 p90 -123.02 132.52 24.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.92 153.51 42.22 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.78 -35.74 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -23.25 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.552 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 37.9 m-85 -110.01 29.2 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.617 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -160.71 165.41 30.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -133.3 109.2 9.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.966 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.3 m-85 -52.74 128.03 25.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.7 mt -110.24 101.8 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.66 59.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.88 160.19 32.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.74 26.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.21 165.79 22.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.8 p -119.95 111.18 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.57 116.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -140.97 146.03 36.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.4 76.21 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 p -170.19 159.43 7.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.29 -58.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.55 -160.9 17.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -147.9 109.2 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.54 -69.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.84 -139.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.37 119.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 p -57.92 -18.17 21.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.495 ' O ' ' C ' ' A' ' 14' ' ' LYS . 49.3 m -96.1 168.41 10.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 32.24 87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.11 -72.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -109.99 30.34 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.1 mt -73.71 164.22 62.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 163.68 34.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 43' ' ' LEU . 21.6 mt-30 -147.3 150.42 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 65' ' ' PHE . 10.2 m -135.54 137.08 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -92.96 118.6 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 70' ' ' ALA . 43.0 mm -65.5 108.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.617 HG22 ' HE ' ' A' ' 71' ' ' ARG . 31.5 p -64.93 -35.35 80.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -143.36 148.72 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.8 157.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 4.1 t80 -140.95 85.44 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -60.6 111.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 132.86 49.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -109.78 -29.83 8.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.65 178.22 6.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -4.98 55.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.07 -15.03 14.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.514 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 92.7 mt-10 -81.35 161.31 23.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.15 139.97 46.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.442 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 55.4 m -74.04 134.27 42.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD23 ' HD3' ' A' ' 56' ' ' ARG . 5.7 mt -129.56 161.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.74 176.1 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.507 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.4 tm0? -73.17 127.07 31.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 71.76 46.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.79 133.91 53.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.68 139.5 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.2 t -135.66 132.33 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD12 ' HG3' ' A' ' 19' ' ' GLN . 6.8 tp -86.98 109.95 19.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG11 ' HG3' ' A' ' 47' ' ' GLN . 78.0 t -60.38 139.32 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.582 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.1 mt -120.91 -40.99 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.71 116.69 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.568 ' HG3' HG11 ' A' ' 44' ' ' VAL . 21.3 mt-30 -93.52 114.12 26.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.9 tt0 -122.02 115.67 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 m-20 -39.42 102.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.65 -45.75 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.56 ' C ' HD22 ' A' ' 52' ' ' LEU . 68.1 m95 -133.94 140.34 46.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.889 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -114.89 115.49 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 52.1 t80 -87.66 142.54 27.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -163.93 -170.28 28.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.662 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.16 128.36 43.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.545 ' HD3' HD23 ' A' ' 36' ' ' LEU . 11.6 ttp180 -68.98 116.34 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 43' ' ' LEU . 3.0 mm? -66.1 -11.6 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -62.46 -65.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 61' ' ' GLU . 9.5 t70 -113.33 -25.53 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 110.77 2.75 28.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' OE1' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -56.78 127.09 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.662 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.3 m -107.03 115.63 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.82 -174.74 19.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 79.4 m95 -95.57 137.06 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.6 p90 -141.32 131.96 13.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.02 149.05 36.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.566 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.35 -36.0 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.93 -24.06 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 51.0 m-85 -110.06 35.97 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -172.04 163.35 6.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.617 ' HE ' HG22 ' A' ' 23' ' ' THR . 2.5 ptp180 -138.56 129.78 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 20' ' ' VAL . 20.5 m-85 -66.97 106.62 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.6 mt -57.17 -68.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.25 101.89 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.53 -76.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.49 42.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.9 m -88.74 -58.53 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t 63.71 144.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.0 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -172.39 164.57 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.94 126.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -164.25 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 p -78.46 165.97 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.88 -137.83 3.36 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -87.82 88.41 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -44.5 -59.77 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.03 -136.77 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 49.62 74.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.01 79.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -165.86 88.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -143.78 153.3 42.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.83 -108.06 0.32 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -119.0 69.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.79 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 44' ' ' VAL . 13.8 mt -65.26 163.79 28.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 146.3 32.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HG3' HD12 ' A' ' 43' ' ' LEU . 25.3 mt-30 -124.14 149.28 46.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.721 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.4 m -137.19 140.24 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -98.39 117.22 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 24' ' ' LYS . 28.2 mm -61.78 118.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.5 p -76.43 -42.47 43.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.83 152.38 47.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -65.37 121.63 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 35' ' ' THR . 14.6 t80 -94.68 133.97 37.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -106.81 104.21 13.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.99 137.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -114.99 -36.5 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -98.16 176.42 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.75 -9.48 59.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -116.11 49.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' ' CH2' ' A' ' 51' ' ' TRP . 76.2 mt-10 -135.56 163.44 30.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 61' ' ' GLU . 6.2 p -134.38 134.38 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 26' ' ' PHE . 78.9 m -80.54 131.51 35.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.666 HD23 ' HD3' ' A' ' 56' ' ' ARG . 2.2 mt -122.56 164.76 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.521 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.2 tm0? -69.86 126.86 30.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 73.01 49.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.2 141.28 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 HD23 ' A' ' 57' ' ' LEU . 50.9 t -95.92 137.68 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 56' ' ' ARG . 42.4 t -139.34 129.54 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 19' ' ' GLN . 33.4 tp -86.86 109.67 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.559 HG11 ' HG3' ' A' ' 47' ' ' GLN . 85.9 t -60.8 135.14 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.581 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 7.1 mt -116.19 -42.35 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.02 111.49 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.559 ' HG3' HG11 ' A' ' 44' ' ' VAL . 8.6 mt-30 -87.34 110.38 20.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 51' ' ' TRP . 3.8 tp10 -117.26 141.59 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.99 102.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -35.01 3.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 66.2 m95 -142.43 140.83 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.78 112.35 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.2 t80 -83.17 141.35 32.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -162.59 -170.52 27.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER -128.39 120.74 27.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.666 ' HD3' HD23 ' A' ' 36' ' ' LEU . 24.6 ttp180 -64.03 115.74 5.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 HG12 ' A' ' 41' ' ' VAL . 3.3 mm? -62.34 -25.65 68.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -43.2 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -26.44 6.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 114.32 21.28 5.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.522 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -70.61 124.82 25.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.288 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.581 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 1.3 m -106.4 113.32 26.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.58 -174.85 19.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 78.0 m95 -96.49 124.29 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.721 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.6 p90 -129.55 132.56 24.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -75.0 151.31 39.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.512 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.68 -35.31 70.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -27.22 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 24.4 m-85 -102.25 22.46 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -154.7 170.05 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -137.62 111.76 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.663 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.1 m-85 -52.6 101.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.4 mt -57.66 -61.12 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.7 p -155.92 140.15 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.75 139.92 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.55 4.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.17 -62.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.55 80.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.56 166.67 10.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.31 162.47 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.63 -80.2 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.98 171.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.025 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 m 59.84 160.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.19 -67.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.626 ' HB3' HD13 ' A' ' 11' ' ' LEU . 1.4 m-90 -75.88 90.92 2.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -62.23 -52.95 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.99 107.94 3.53 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 8' ' ' TRP . 3.7 tp -132.13 150.01 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.2 p -127.24 95.61 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -170.2 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.18 146.06 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.05 -97.3 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -90.01 45.66 1.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 44' ' ' VAL . 16.3 mt -55.14 162.04 2.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.35 21.63 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.559 ' CG ' HD12 ' A' ' 43' ' ' LEU . 62.6 mt-30 -121.98 135.58 54.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 72' ' ' PHE . 26.3 m -120.28 140.81 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -96.7 120.3 36.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.656 HD13 ' HB2' ' A' ' 70' ' ' ALA . 24.0 mm -67.23 130.39 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -87.99 -25.71 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.42 144.65 24.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -50.08 138.16 16.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.4 t80 -117.74 84.83 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -56.57 115.89 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 133.98 51.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -34.93 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.63 -173.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.17 -9.23 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -99.1 -14.42 19.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -84.39 159.28 20.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.5 p -133.06 135.91 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.1 m -72.82 132.24 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD23 ' HD3' ' A' ' 56' ' ' ARG . 3.8 mt -126.01 170.54 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -125.08 171.11 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 42.1 tt0 -66.2 128.8 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 67.89 49.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -113.21 131.97 55.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.687 HG12 HD12 ' A' ' 57' ' ' LEU . 85.0 t -92.54 139.71 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.86 134.88 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HB2' HD21 ' A' ' 57' ' ' LEU . 7.1 tp -88.25 109.72 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.529 ' O ' HD13 ' A' ' 17' ' ' LEU . 80.1 t -60.24 139.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.552 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 19.7 mt -119.82 -40.78 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.12 122.38 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' HG3' HG11 ' A' ' 44' ' ' VAL . 1.6 mt-30 -99.58 112.19 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' ASP . 1.6 tp10 -119.96 115.5 23.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -38.11 102.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.69 -40.84 1.68 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 54.7 m95 -141.44 149.26 40.77 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -119.78 113.75 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 37.5 t80 -85.37 143.76 28.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -167.48 -174.54 36.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.1 OUTLIER -129.24 122.3 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.62 ' HD3' HD23 ' A' ' 36' ' ' LEU . 17.0 ttp180 -62.28 117.61 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.687 HD12 HG12 ' A' ' 41' ' ' VAL . 4.1 mt -68.09 -11.2 58.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -62.72 -64.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.03 -25.65 8.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 109.88 9.63 24.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.648 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.3 mt-10 -60.77 125.7 24.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.926 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -109.58 110.28 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.36 -175.2 19.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 84.8 m95 -93.71 127.83 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.761 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 p90 -131.66 132.08 23.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.0 Cg_endo -75.04 152.68 40.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.486 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -72.36 -35.8 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -21.12 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.8 m-85 -110.62 28.36 8.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.656 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -161.96 161.92 28.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -131.62 112.88 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.238 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.762 ' HA ' HG12 ' A' ' 20' ' ' VAL . 5.4 m-85 -54.48 100.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.2 mt -58.97 -52.06 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.45 131.54 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.38 -135.1 3.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.66 34.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 t 62.45 93.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 m -55.45 125.55 21.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -100.62 168.34 9.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.54 -59.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.84 120.39 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.7 98.28 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.82 -59.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.2 176.51 19.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -82.42 139.41 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -65.73 176.07 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.15 109.45 2.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 mt -101.38 101.89 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.25 -59.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.0 m -156.8 123.75 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 155.68 49.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.94 -124.6 0.94 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.35 34.41 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 44' ' ' VAL . 18.8 mt -41.75 161.31 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 59.56 150.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 65' ' ' PHE . 4.3 m -140.84 150.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.93 121.94 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' A' ' 70' ' ' ALA . 32.8 mm -66.21 129.07 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.9 p -89.42 -23.4 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -150.52 148.21 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.34 134.15 53.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.56 85.07 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -59.27 105.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -62.31 133.68 55.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -107.85 -33.58 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt-30 -89.04 -176.74 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.72 -1.46 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.88 -20.68 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 35.1 mt-10 -80.78 -177.63 6.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.499 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.6 p -152.52 131.39 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 95.5 m -66.75 132.7 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD23 ' HD3' ' A' ' 56' ' ' ARG . 4.5 mt -128.24 171.84 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -125.44 177.08 6.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 38.2 tt0 -73.96 127.91 34.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.54 40.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -103.84 130.14 51.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 t -90.54 135.39 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 56' ' ' ARG . 43.2 t -131.72 131.43 62.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.661 HD11 HD12 ' A' ' 17' ' ' LEU . 8.5 tp -86.48 109.24 18.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.78 ' O ' HD13 ' A' ' 17' ' ' LEU . 94.3 t -61.03 139.12 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 20.7 mt -120.98 -40.99 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -140.48 118.38 11.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.524 ' HG3' HG11 ' A' ' 44' ' ' VAL . 12.4 mt-30 -95.65 115.77 27.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.0 tt0 -125.18 115.6 20.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' GLU . 2.7 t0 -39.71 103.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.73 -43.09 1.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 39.0 m95 -140.94 145.58 36.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.9 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -117.36 118.39 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 48.4 t80 -89.69 142.9 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.74 -174.32 35.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.657 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.9 OUTLIER -124.12 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.698 ' HD3' HD23 ' A' ' 36' ' ' LEU . 40.8 ttp180 -60.45 106.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.544 HD13 ' OE2' ' A' ' 55' ' ' GLU . 2.9 mm? -54.66 -24.24 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' HD3' ' CZ ' ' A' ' 56' ' ' ARG . 21.2 ttt180 -43.93 -66.05 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -26.17 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 112.07 17.59 8.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -71.09 128.85 37.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.657 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -107.59 113.26 26.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.34 -175.0 18.98 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 76.2 m95 -96.83 118.86 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.9 p90 -122.36 132.65 24.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -75.05 152.15 40.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -71.86 -35.82 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -22.77 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 43.8 m-85 -109.81 31.69 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.68 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -165.75 159.39 16.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 11.1 mtp-105 -127.73 113.07 15.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.565 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.5 m-85 -54.19 133.36 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 74' ' ' SER . 10.3 mt -107.48 99.51 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.3 t 84.03 62.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.33 1.98 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.514 1.133 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 m -127.19 117.24 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -149.99 124.0 9.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t 59.82 105.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -73.81 104.71 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.42 -171.45 12.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p 58.98 112.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 0.72 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -64.5 159.98 20.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 128.89 1.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -100.71 -70.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -171.82 -58.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.92 79.1 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.3 mt -135.47 96.99 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.25 -59.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.61 130.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.08 178.31 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.22 -115.73 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.05 68.25 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' HB2' HD11 ' A' ' 43' ' ' LEU . 18.3 mt -88.75 161.82 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 151.14 38.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -129.8 147.5 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.756 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.5 m -131.54 144.8 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -101.36 116.34 32.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.598 HG13 HD13 ' A' ' 36' ' ' LEU . 9.2 mm -65.07 101.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 15.5 p -56.68 -47.06 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 22.3 pttt -134.92 143.6 47.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -43.9 154.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 7.3 t80 -135.7 80.87 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -54.03 106.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.42 133.22 50.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -110.73 -34.48 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 34.9 mt-30 -86.54 -178.5 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.86 -2.74 46.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -18.64 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -84.61 165.97 17.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG23 ' OE1' ' A' ' 61' ' ' GLU . 2.1 p -139.98 132.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.4 m -67.03 129.95 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 HG13 ' A' ' 22' ' ' ILE . 3.3 mt -123.36 159.35 29.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -109.84 162.44 14.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 7.1 tm0? -63.66 126.75 28.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.53 50.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.06 138.29 51.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.81 139.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.352 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 56' ' ' ARG . 25.5 t -137.99 138.69 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.728 ' HB2' HD21 ' A' ' 57' ' ' LEU . 19.3 tp -90.28 110.08 21.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.558 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 91.1 t -62.09 139.06 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.0 mt -120.03 -40.73 2.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.38 133.4 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.646 ' HG2' HD12 ' A' ' 52' ' ' LEU . 9.5 mt-30 -112.44 120.64 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -127.68 115.7 19.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -37.84 102.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.09 -42.64 1.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.718 ' C ' HD22 ' A' ' 52' ' ' LEU . 44.4 m95 -142.22 159.44 42.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.912 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.15 139.77 52.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -110.18 144.38 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.48 -175.28 36.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.593 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tt0 -126.16 114.22 18.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.637 ' HA ' HG22 ' A' ' 42' ' ' VAL . 10.9 ttp180 -56.84 116.22 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 43' ' ' LEU . 2.9 mm? -67.32 -14.64 63.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -57.78 -65.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -25.38 8.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 113.47 -3.29 24.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' OE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.04 124.03 10.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.593 HG23 ' HB2' ' A' ' 55' ' ' GLU . 2.3 m -104.92 113.19 26.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 34' ' ' VAL . . . -146.41 -175.04 19.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -99.12 119.34 37.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.756 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.7 p90 -114.95 140.39 25.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -74.96 149.2 36.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.642 ' HG2' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -77.04 -36.11 56.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.86 -31.15 37.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 66' ' ' PRO . 7.0 m-30 -108.59 33.52 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HB1' ' CG2' ' A' ' 20' ' ' VAL . . . -150.41 151.0 32.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 15.5 mtm180 -121.94 106.37 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.691 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.8 m-85 -54.49 102.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.83 -59.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -138.6 118.29 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.57 -150.79 5.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.71 3.31 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.4 m 61.97 145.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -138.65 151.61 47.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 78.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -40.69 -57.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.6 -147.63 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -115.29 120.63 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -71.57 162.41 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.29 -72.0 1.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CG ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.53 174.1 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -62.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 -94.12 1.05 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD12 ' CG ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER 71.11 168.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -72.21 151.66 42.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m 62.97 126.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.61 80.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.08 -74.38 0.36 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 35.9 m-20 -131.86 61.95 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -40.08 152.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.31 18.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.02 140.43 43.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 65' ' ' PHE . 8.4 m -128.15 135.02 63.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -94.48 116.18 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.743 HD13 ' HB2' ' A' ' 70' ' ' ALA . 35.8 mm -62.33 131.44 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 76.4 p -88.0 -46.87 8.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -121.37 151.14 40.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 125.26 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 35' ' ' THR . 14.2 t80 -102.6 131.98 48.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -102.78 109.33 20.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -78.81 120.77 23.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -95.58 -30.18 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 5.0 mt-30 -94.43 158.03 15.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.35 -6.33 47.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -28.36 15.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 53.6 mt-10 -76.41 172.17 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.62 HG23 ' HG2' ' A' ' 61' ' ' GLU . 2.1 p -140.15 128.73 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 26' ' ' PHE . 96.3 m -76.39 127.37 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.922 HD22 HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -120.39 177.76 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -133.79 161.06 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.5 tt0 -56.99 123.47 15.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 72.68 47.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.96 135.13 54.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 57' ' ' LEU . 47.5 t -94.9 138.82 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.922 HG21 HD22 ' A' ' 36' ' ' LEU . 55.7 t -135.88 134.26 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 20.7 tp -86.01 110.66 19.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 57.7 t -66.81 146.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.607 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 4.5 mt -125.15 -40.62 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.53 121.81 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.511 ' HG2' HD12 ' A' ' 52' ' ' LEU . 8.0 mt-30 -99.01 108.47 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -118.95 118.08 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.09 104.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.63 -50.7 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.586 ' C ' HD22 ' A' ' 52' ' ' LEU . 52.4 m95 -132.54 142.84 49.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.896 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -116.68 111.4 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 18.6 t80 -78.59 143.37 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -171.15 179.3 43.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.899 ' HB2' HG23 ' A' ' 62' ' ' THR . 2.0 tm-20 -120.71 117.3 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.864 ' HD3' HD23 ' A' ' 36' ' ' LEU . 28.0 ttp180 -67.26 108.62 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.7 HD13 ' OE2' ' A' ' 55' ' ' GLU . 2.9 mm? -55.33 -27.49 47.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 7.5 ttt180 -41.13 -66.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -112.23 -26.5 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 100.88 30.87 5.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HG2' HG23 ' A' ' 34' ' ' VAL . 4.9 tt0 -92.58 123.39 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.899 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -94.04 116.54 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.32 -174.89 19.7 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 82.5 m95 -97.94 116.13 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.0 p90 -118.75 132.71 23.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.4 Cg_endo -74.9 146.92 33.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -66.55 -36.24 82.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -30.42 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 14.4 m-85 -104.56 37.35 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.743 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -170.1 156.42 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 7.5 mtp-105 -126.29 112.69 16.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.562 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.4 m-85 -52.95 103.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.0 -57.7 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.82 127.19 19.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.96 120.44 0.77 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.97 24.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.0 p -164.05 93.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.931 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -78.66 133.28 37.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -142.13 129.51 21.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -165.1 171.11 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.49 96.92 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.17 127.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -174.99 150.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.61 100.45 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.546 1.154 . . . . 0.0 111.013 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.89 119.19 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.56 152.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.2 -130.05 9.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.03 73.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.54 -60.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.52 92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.038 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.41 173.51 6.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.3 -99.67 0.17 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -119.31 29.53 7.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.219 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 44' ' ' VAL . 19.6 mt -48.33 159.88 0.48 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.82 28.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -127.13 136.89 52.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 72' ' ' PHE . 22.7 m -123.55 140.34 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -95.21 119.06 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 70' ' ' ALA . 28.1 mm -65.65 118.36 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.7 p -74.51 -30.81 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 1.8 pttt -148.68 146.2 28.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -45.53 155.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 6.6 t80 -137.94 84.05 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -59.76 105.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.45 142.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -111.72 -33.37 6.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -109.99 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.18 -8.01 59.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 64' ' ' TRP . 0.2 OUTLIER -102.01 -12.98 17.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -85.36 150.91 24.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.587 HG21 ' HB3' ' A' ' 61' ' ' GLU . 1.6 p -122.91 146.77 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 86.1 m -81.36 129.74 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 22' ' ' ILE . 3.7 mt -124.73 165.26 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.0 177.04 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 16.0 tt0 -72.16 127.57 32.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.03 45.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -110.54 129.85 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.782 HG12 HD12 ' A' ' 57' ' ' LEU . 97.7 t -94.28 128.63 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 56' ' ' ARG . 20.4 t -122.96 138.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HB2' HD21 ' A' ' 57' ' ' LEU . 8.0 tp -86.49 109.4 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' A' ' 47' ' ' GLN . 96.0 t -61.04 140.62 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 55' ' ' GLU . 17.7 mt -120.78 -41.61 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.3 122.38 13.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.502 ' HG3' HG11 ' A' ' 44' ' ' VAL . 11.9 mt-30 -99.55 107.75 20.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 51' ' ' TRP . 1.3 tt0 -116.2 116.7 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -39.27 103.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.31 -43.6 1.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' C ' HD22 ' A' ' 52' ' ' LEU . 56.1 m95 -140.14 145.84 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.16 113.89 22.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 38.8 t80 -85.88 143.82 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -161.82 -175.46 32.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.918 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -129.77 105.0 7.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 110.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.593 ' HA ' HG22 ' A' ' 42' ' ' VAL . 2.5 ttp180 -38.1 145.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 41' ' ' VAL . 12.3 mt -97.19 -11.67 23.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -63.66 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -27.29 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 56' ' ' ARG . . . 120.83 -1.22 12.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -42.58 124.96 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.918 HG23 ' HB2' ' A' ' 55' ' ' GLU . 1.0 OUTLIER -112.0 109.65 19.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 34' ' ' VAL . . . -147.61 -174.99 20.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 77.9 m95 -95.74 129.47 42.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.732 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.7 p90 -130.96 131.65 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.3 Cg_endo -75.02 153.39 41.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -72.33 -35.63 68.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -52.99 -21.52 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 33.0 m-85 -111.11 27.54 9.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -159.34 158.25 31.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -128.15 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.786 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.5 m-85 -53.15 104.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.64 -57.04 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.01 128.72 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.43 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 110.62 3.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 t -132.9 153.04 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.84 -57.54 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -119.32 -58.57 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 0.728 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -169.11 -58.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.74 142.16 4.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.3 116.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.734 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.35 134.32 51.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.09 110.87 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -124.25 79.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 67.03 80.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.07 104.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.87 127.7 50.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m 63.72 89.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' A' ' 43' ' ' LEU . 59.6 m -166.83 114.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' CB ' ' HG ' ' A' ' 17' ' ' LEU . 9.5 tttm -44.85 -54.72 6.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.37 -54.55 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.96 35.89 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 14' ' ' LYS . 17.2 mt -57.13 163.1 3.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 142.67 28.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -130.63 136.04 48.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 65' ' ' PHE . 12.1 m -121.22 136.08 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.62 117.32 29.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.702 ' CD1' HD13 ' A' ' 36' ' ' LEU . 21.7 mm -64.57 130.27 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.9 p -87.67 -41.97 12.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -126.73 153.43 45.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.11 123.85 21.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' A' ' 36' ' ' LEU . 22.5 t80 -103.43 117.22 33.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -85.85 110.89 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -72.07 124.51 25.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -104.11 -30.27 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 mt-30 -84.01 174.97 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.82 -0.28 57.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' OD2' ' CD1' ' A' ' 64' ' ' TRP . 0.5 OUTLIER -111.53 -17.29 13.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.488 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 43.1 mt-10 -73.13 164.06 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 61' ' ' GLU . 2.6 p -134.64 129.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.497 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 2.0 m -71.87 130.99 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.892 HD23 ' HD3' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -124.89 174.4 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -133.81 161.84 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 1.6 tt0 -58.5 123.54 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 73.44 47.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.29 139.7 49.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.01 138.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 36' ' ' LEU . 42.6 t -135.82 135.06 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.572 ' HB2' HD21 ' A' ' 57' ' ' LEU . 29.6 tp -85.77 110.18 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.639 HG11 ' HG3' ' A' ' 47' ' ' GLN . 72.6 t -65.13 139.55 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.627 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 5.8 mt -121.68 -41.33 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 111.91 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.639 ' HG3' HG11 ' A' ' 44' ' ' VAL . 9.6 mt-30 -89.08 112.28 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 51' ' ' TRP . 2.7 tt0 -120.04 130.96 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.64 -39.53 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.574 ' C ' HD22 ' A' ' 52' ' ' LEU . 66.6 m95 -140.77 135.62 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.883 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -112.78 115.85 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -82.87 145.4 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -172.52 -174.58 39.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.804 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.8 OUTLIER -125.84 123.26 38.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.892 ' HD3' HD23 ' A' ' 36' ' ' LEU . 19.4 ttp180 -71.58 106.53 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.608 ' H ' HD22 ' A' ' 57' ' ' LEU . 2.7 mm? -54.94 -19.31 6.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' CB ' ' HG2' ' A' ' 56' ' ' ARG . 1.8 ttt85 -51.48 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.71 -26.19 9.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 99.31 26.94 8.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 34' ' ' VAL . 2.1 tt0 -91.1 119.37 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.804 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -89.47 118.87 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.7 -174.64 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.496 ' CD1' ' OD2' ' A' ' 32' ' ' ASP . 81.1 m95 -97.35 129.89 44.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.4 p90 -135.96 132.06 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.2 Cg_endo -74.99 150.54 38.35 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.579 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.36 -35.5 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.08 -30.33 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 9.5 m-85 -101.56 26.28 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -155.97 163.97 39.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -133.38 107.73 8.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.645 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.9 m-85 -52.82 106.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.41 -54.02 40.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.69 127.76 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.7 -86.42 0.58 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.03 6.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.54 139.83 52.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -122.98 167.94 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.32 169.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -73.03 141.95 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.02 -173.65 19.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -102.14 170.3 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -58.67 3.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.72 124.33 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.51 142.67 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.66 165.95 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.12 91.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -121.63 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 0.768 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.3 102.19 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.43 105.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.045 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -160.22 161.91 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.22 -143.84 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -57.34 -40.48 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 43' ' ' LEU . 6.7 mt 56.0 165.33 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.77 11.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -121.48 135.8 55.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' ' 72' ' ' PHE . 35.1 m -119.74 137.68 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -93.85 118.21 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' A' ' 70' ' ' ALA . 35.3 mm -62.85 125.45 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.6 p -83.19 -30.48 27.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -145.46 151.39 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 36' ' ' LEU . . . -58.09 137.83 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 11.3 t80 -118.13 84.42 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -59.75 108.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB2' ' C ' ' A' ' 34' ' ' VAL . . . -60.09 131.82 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -105.38 -33.61 8.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.6 mm-40 -96.55 -173.71 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.62 -5.76 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.52 -13.1 19.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -91.08 173.43 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 61' ' ' GLU . 2.8 p -144.41 139.06 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.3 m -71.99 134.68 46.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 8.2 mt -131.44 164.46 25.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -118.8 173.57 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 35.3 tt0 -71.44 126.97 31.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 38' ' ' GLN . . . 70.7 48.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -111.5 134.99 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 HD12 ' A' ' 57' ' ' LEU . 87.1 t -94.32 137.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 56' ' ' ARG . 51.8 t -137.09 135.02 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 17' ' ' LEU . 24.2 tp -87.58 109.7 19.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 91.7 t -61.74 139.83 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 15.0 mt -118.67 -40.47 2.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 123.12 14.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.499 ' HG3' HG11 ' A' ' 44' ' ' VAL . 13.9 mt-30 -101.13 113.79 27.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 2.2 tp10 -120.65 116.19 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -38.94 102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.95 -48.68 0.96 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.592 ' C ' HD22 ' A' ' 52' ' ' LEU . 41.4 m95 -134.94 148.44 50.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.897 HD22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.75 130.01 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 64' ' ' TRP . 42.7 t80 -103.51 143.46 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 43' ' ' LEU . . . -166.84 -172.97 34.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.834 ' HB2' HG23 ' A' ' 62' ' ' THR . 1.4 tm-20 -127.97 108.28 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.67 ' HA ' HG22 ' A' ' 42' ' ' VAL . 34.3 ttp180 -55.37 117.4 3.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD12 HG12 ' A' ' 41' ' ' VAL . 3.8 mt -66.15 -21.53 66.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -45.51 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.08 -14.74 10.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ARG . . . 97.98 24.86 11.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.614 ' HB3' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -76.34 131.04 38.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -110.66 110.64 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.438 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.67 -175.19 19.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 53' ' ' TYR . 73.3 m95 -97.44 115.96 28.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.718 ' CE1' HG21 ' A' ' 20' ' ' VAL . 3.2 p90 -117.66 132.88 23.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 69' ' ' PHE . 18.5 Cg_endo -74.97 154.52 42.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -76.41 -35.03 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -20.3 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 46.3 m-85 -108.81 17.73 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.567 ' HB2' HD13 ' A' ' 22' ' ' ILE . . . -150.82 170.9 18.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 11.8 mtp-105 -138.56 112.21 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.921 ' HA ' HG12 ' A' ' 20' ' ' VAL . 2.4 m-85 -53.64 104.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.13 -55.17 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.28 106.74 4.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.27 -85.03 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.7 p -133.5 120.03 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -95.92 -58.8 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 stop_ save_